Vitas-M small molecule compound
(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(4-methylbenzyl)-1H-indol-3-yl]prop-2-enamide
Catalog ID
STK054642
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1ccc(cc1)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/c1-18-7-10-20(11-8-18)16-31-17-22(24-5-3-4-6-26(24)31)13-21(15-29)27(32)30-25-14-23(28)12-9-19(25)2/h3-14,17H,16H2,1-2H3,(H,30,32)/b21-13+InChIKey
VKRLUSQDKWBGMP-FYJGNVAPSA-NSynonyms
(2E)N(5CHLORO2METHYLPHENYL)2CYANO3(1(4METHYLBENZYL)1HINDOL3YL)PROP2ENAMIDE
(E)N(5CHLORO2METHYLPHENYL)2CYANO3(1((4METHYLPHENYL)METHYL)INDOL3YL)PROP2ENAMIDE
CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=C(C=CC(=C4)Cl)C
InChI=1SC27H22ClN3Oc11871020(11818)16311722(24534626(24)31)1321(1529)27(32)30251423(28)12919(25)2h31417H16H212H3(H3032)b2113+
MFCD08051269
N#CC(=Cc1cn(c2c1cccc2)Cc1ccc(cc1)C)C(=O)Nc1cc(Cl)ccc1C
STK054642
ZINC000002801967
ZINC02801967
ZINC2801967
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