Vitas-M small molecule compound
(3-{(1E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetic acid
Catalog ID
STK182288
SMILES CCOc1ccc(cc1)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/c1-2-29-18-9-7-17(8-10-18)24-22(28)15(12-23)11-16-13-25(14-21(26)27)20-6-4-3-5-19(16)20/h3-11,13H,2,14H2,1H3,(H,24,28)(H,26,27)/b15-11+InChIKey
JYPFUZLNEHZZDK-RVDMUPIBSA-NSynonyms
(3((1E)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETICACID
(E)2(3(2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)1Hindol1yl)aceticacid
2(3((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)INDOL1YL)ACETICACID
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cn(c2c1cccc2)CC(=O)O)C#N
InChI=1SC22H19N3O4c1229189717(81018)2422(28)15(1223)11161325(1421(26)27)20643519(16)20h31113H214H21H3(H2428)(H2627)b1511+
MFCD02194340
ZINC000004710497
ZINC4710497
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