Vitas-M small molecule compound

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

Catalog ID
STL438786
SMILES COc1c(OC)cc(cc1OC)C(N(C(=O)CN1C(=O)C(=O)c2c1cccc2)Cc1scc(n1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H32N4O9S MW 720.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32N4O9S/c1-47-30-15-23(16-31(48-2)36(30)49-3)34(37(45)39-24-13-14-28-29(17-24)51-21-50-28)42(18-32-40-26(20-52-32)22-9-5-4-6-10-22)33(43)19-41-27-12-8-7-11-25(27)35(44)38(41)46/h4-17,20,34H,18-19,21H2,1-3H3,(H,39,45)
InChIKey
JICFJKJHIZFHTN-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC(=C1OC)OC)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=NC(=CS4)C5=CC=CC=C5)C(=O)CN6C7=CC=CC=C7C(=O)C6=O
InChI=1SC38H32N4O9Sc147301523(1631(482)36(30)493)34(37(45)392413142829(1724)51215028)42(18324026(205232)2295461022)33(43)19412712871125(27)35(44)38(41)46h4172034H181921H213H3(H3945)
MFCD06241354
N(13BENZODIOXOL5YL)2((2(23DIOXOINDOL1YL)ACETYL)((4PHENYL13THIAZOL2YL)METHYL)AMINO)2(345TRIMETHOXYPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1(345trimethoxyphenyl)ethyl)2(23dioxo23dihydro1Hindol1yl)N((4phenyl13thiazol2yl)methyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(2(23DIOXOINDOLIN1YL)N((4PHENYLTHIAZOL2YL)METHYL)ACETAMIDO)2(345TRIMETHOXYPHENYL)ACETAMIDE
ZINC000150345693
ZINC000150345696

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Available files

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