1-[2-(4-Isothiocyatophenoxy)ethyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridin

Catalog Number

ACM155862934-2

CAS

155862-93-4

Structure

Synonyms

1-[2-(4-Isothiocyatophenoxy)ethyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridiniumtosylate

IUPAC Name

2-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;4-methylbenzenesulfonate

Molecular Weight

601.69

Molecular Formula

C31H27N3O6S2

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C24H20N3O3S.C7H8O3S/c1-28-21-6-2-18(3-7-21)23-16-25-24(30-23)19-10-12-27(13-11-19)14-15-29-22-8-4-20(5-9-22)26-17-31;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,16H,14-15H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChI Key

AVQZDVMXRPILBE-UHFFFAOYSA-M

Purity

95%+

Appearance

Solid

Storage

Stored at -20 °C

• Catalog Number: ACM155862934-2
• CAS: 155862-93-4
• Synonyms: 1-[2-(4-Isothiocyatophenoxy)ethyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridiniumtosylate
• IUPAC Name: 2-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;4-methylbenzenesulfonate
• Molecular Weight: 601.69
• Molecular Formula: C31H27N3O6S2
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S
• InChI: InChI=1S/C24H20N3O3S.C7H8O3S/c1-28-21-6-2-18(3-7-21)23-16-25-24(30-23)19-10-12-27(13-11-19)14-15-29-22-8-4-20(5-9-22)26-17-31;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,16H,14-15H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChI Key: AVQZDVMXRPILBE-UHFFFAOYSA-M
• Purity: 95%+
• Appearance: Solid
• Storage: Stored at -20 °C