Vitas-M small molecule compound

(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]prop-2-enamide

Catalog ID
STK185124
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)C)/C(=O)Nc1cc(Cl)ccc1C

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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 C27H22ClN3O MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O/c1-18-6-5-7-20(12-18)16-31-17-22(24-8-3-4-9-26(24)31)13-21(15-29)27(32)30-25-14-23(28)11-10-19(25)2/h3-14,17H,16H2,1-2H3,(H,30,32)/b21-13+
InChIKey
CCHWZODQIYHGHL-FYJGNVAPSA-N
Synonyms

(2E)N(5CHLORO2METHYLPHENYL)2CYANO3(1(3METHYLBENZYL)1HINDOL3YL)PROP2ENAMIDE
(E)N(5chloro2methylphenyl)2cyano3(1((3methylphenyl)methyl)indol3yl)prop2enamide
CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=C(C=CC(=C4)Cl)C
InChI=1SC27H22ClN3Oc11865720(1218)16311722(24834926(24)31)1321(1529)27(32)30251423(28)111019(25)2h31417H16H212H3(H3032)b2113+
MFCD06664491
N#CC(=Cc1cn(c2c1cccc2)Cc1cccc(c1)C)C(=O)Nc1cc(Cl)ccc1C
ZINC000002726915
ZINC02726915
ZINC2726915

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Available files

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