Vitas-M small molecule compound
(4-{(1E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetic acid
Catalog ID
STK180950
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OCC(=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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-2-26-17-9-5-16(6-10-17)22-20(25)15(12-21)11-14-3-7-18(8-4-14)27-13-19(23)24/h3-11H,2,13H2,1H3,(H,22,25)(H,23,24)/b15-11+InChIKey
PXJBTEZUQVCRHP-RVDMUPIBSA-NSynonyms
(4((1E)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(4((E)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)PHENOXY)ACETICACID
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OCC(=O)O)C#N
InChI=1SC20H18N2O5c1226179516(61017)2220(25)15(1221)11143718(8414)271319(23)24h311H213H21H3(H2225)(H2324)b1511+
MFCD06666491
ZINC000004705355
ZINC4705355
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