Vitas-M small molecule compound
(3-{(1E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetic acid
Catalog ID
STK186038
SMILES CCOc1cccc(c1)NC(=O)/C(=C/c1cn(c2c1cccc2)CC(=O)O)/C#N
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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 C22H19N3O4 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4/c1-2-29-18-7-5-6-17(11-18)24-22(28)15(12-23)10-16-13-25(14-21(26)27)20-9-4-3-8-19(16)20/h3-11,13H,2,14H2,1H3,(H,24,28)(H,26,27)/b15-10+InChIKey
AVFLHMGAGZICDR-XNTDXEJSSA-NSynonyms
(3((1E)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETICACID
2(3((E)2CYANO3(3ETHOXYANILINO)3OXOPROP1ENYL)INDOL1YL)ACETICACID
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cn(c2c1cccc2)CC(=O)O)C#N
InChI=1SC22H19N3O4c12291875617(1118)2422(28)15(1223)10161325(1421(26)27)20943819(16)20h31113H214H21H3(H2428)(H2627)b1510+
MFCD02379431
ZINC000004711203
ZINC4711203
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