Vitas-M small molecule compound

2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide

Catalog ID
STK547051
SMILES N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1C)Br)c1ccc2c(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 C22H16BrN3O3S MW 482.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O3S/c1-13-8-16(23)4-6-17(13)25-21(27)11-30-22-15(10-24)2-5-18(26-22)14-3-7-19-20(9-14)29-12-28-19/h2-9H,11-12H2,1H3,(H,25,27)
InChIKey
MGCYGEKRVMTLSK-UHFFFAOYSA-N
Synonyms
445380-95-0
2((6(13BENZODIOXOL5YL)3CYANO2PYRIDINYL)SULFANYL)N(4BROMO2METHYLPHENYL)ACETAMIDE
2((6(13benzodioxol5yl)3cyanopyridin2yl)sulfanyl)N(4bromo2methylphenyl)acetamide
2((6(benzo(d)(13)dioxol5yl)3cyanopyridin2yl)thio)N(4bromo2methylphenyl)acetamide
2(6(13BENZODIOXOL5YL)3CYANOPYRIDIN2YL)SULFANYLN(4BROMO2METHYLPHENYL)ACETAMIDE
445380950
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC22H16BrN3O3Sc113816(23)4617(13)2521(27)11302215(1024)2518(2622)14371920(914)29122819h29H1112H21H3(H2527)
MFCD03234470
ZINC000000662228
ZINC00662228
ZINC662228

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Available files

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