Vitas-M small molecule compound
methyl (3-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Catalog ID
STK185125
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)OC)/C(=O)Nc1ccc(cc1)C
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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/c1-15-7-9-18(10-8-15)24-22(27)16(12-23)11-17-13-25(14-21(26)28-2)20-6-4-3-5-19(17)20/h3-11,13H,14H2,1-2H3,(H,24,27)/b16-11+InChIKey
KVHVDOQDKAZNDX-LFIBNONCSA-NSynonyms
444592-99-8444592998
CC1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C#N
InChI=1SC22H19N3O3c1157918(10815)2422(27)16(1223)11171325(1421(26)282)20643519(17)20h31113H14H212H3(H2427)b1611+
METHYL(3((1E)2CYANO3((4METHYLPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3(4METHYLANILINO)3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD02604598
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)Nc1ccc(cc1)C
ZINC000002726794
ZINC02726794
ZINC2726794
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