Vitas-M small molecule compound
(3-{(1E)-2-cyano-3-[(2,3-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetic acid
Catalog ID
STK180232
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)O)/C(=O)Nc1cccc(c1Cl)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 C20H13Cl2N3O3 MW 414.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl2N3O3/c21-15-5-3-6-16(19(15)22)24-20(28)12(9-23)8-13-10-25(11-18(26)27)17-7-2-1-4-14(13)17/h1-8,10H,11H2,(H,24,28)(H,26,27)/b12-8+InChIKey
WMBQPMVZVMDQDD-XYOKQWHBSA-NSynonyms
(3((1E)2CYANO3((23DICHLOROPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETICACID
2(3((E)2CYANO3(23DICHLOROANILINO)3OXOPROP1ENYL)INDOL1YL)ACETICACID
C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C(C#N)C(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI=1SC20H13Cl2N3O3c211553616(19(15)22)2420(28)12(923)8131025(1118(26)27)17721414(13)17h1810H11H2(H2428)(H2627)b128+
MFCD04352627
N#CC(=Cc1cn(c2c1cccc2)CC(=O)O)C(=O)Nc1cccc(c1Cl)Cl
ZINC000009263068
ZINC9263068
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