Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STK186147
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C22H19N3O3 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3/c1-28-22(27)16-8-6-15(7-9-16)12-18(13-23)21(26)24-11-10-17-14-25-20-5-3-2-4-19(17)20/h2-9,12,14,25H,10-11H2,1H3,(H,24,26)/b18-12+InChIKey
LIGBLXHZPRFSTI-LDADJPATSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32
InChI=1SC22H19N3O3c12822(27)168615(7916)1218(1323)21(26)24111017142520532419(17)20h29121425H1011H21H3(H2426)b1812+
METHYL4((1E)2CYANO2(N(2INDOL3YLETHYL)CARBAMOYL)VINYL)BENZOATE
METHYL4((1E)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)BENZOATE
METHYL4((E)2CYANO3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1ENYL)BENZOATE
MFCD02628984
N#CC(=Cc1ccc(cc1)C(=O)OC)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000004525779
ZINC04525779
ZINC4525779
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