Vitas-M small molecule compound
(2Z)-2-cyano-3-[1-(3,4-dichlorobenzyl)-1H-indol-3-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
Catalog ID
STL405737
SMILES N#C/C(=C/c1cn(c2c1cccc2)Cc1ccc(c(c1)Cl)Cl)/C(=O)Nc1cc(C)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 C27H21Cl2N3O MW 474.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N3O/c1-17-7-8-18(2)25(11-17)31-27(33)20(14-30)13-21-16-32(26-6-4-3-5-22(21)26)15-19-9-10-23(28)24(29)12-19/h3-13,16H,15H2,1-2H3,(H,31,33)/b20-13-InChIKey
KDKYRAFQMBZVCM-MOSHPQCFSA-NSynonyms
(2Z)2cyano3(1(34dichlorobenzyl)1Hindol3yl)N(25dimethylphenyl)prop2enamide
(Z)2cyano3(1((34dichlorophenyl)methyl)indol3yl)N(25dimethylphenyl)prop2enamide
CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C#N
InChI=1SC27H21Cl2N3Oc1177818(2)25(1117)3127(33)20(1430)13211632(26643522(21)26)151991023(28)24(29)1219h31316H15H212H3(H3133)b2013
MFCD28951290
N#CC(=Cc1cn(c2c1cccc2)Cc1ccc(c(c1)Cl)Cl)C(=O)Nc1cc(C)ccc1C
ZINC000098087417
ZINC98087417
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