Vitas-M small molecule compound
methyl (3-{(1E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Catalog ID
STK186119
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)OC)/C(=O)Nc1cccc(c1C)Cl
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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 C22H18ClN3O3 MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O3/c1-14-18(23)7-5-8-19(14)25-22(28)15(11-24)10-16-12-26(13-21(27)29-2)20-9-4-3-6-17(16)20/h3-10,12H,13H2,1-2H3,(H,25,28)/b15-10+InChIKey
ABERAEVKWOWNHH-XNTDXEJSSA-NSynonyms
(E)methyl2(3(3((3chloro2methylphenyl)amino)2cyano3oxoprop1en1yl)1Hindol1yl)acetate
CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C#N
InChI=1SC22H18ClN3O3c11418(23)75819(14)2522(28)15(1124)10161226(1321(27)292)20943617(16)20h31012H13H212H3(H2528)b1510+
METHYL(3((1E)3((3CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)3(3CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD02914421
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)Nc1cccc(c1C)Cl
ZINC000000871184
ZINC00871184
ZINC871184
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