Vitas-M small molecule compound
(2-chloro-4-{(1E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetic acid
Catalog ID
STK185177
SMILES CCOc1cccc(c1)NC(=O)/C(=C/c1cc(Cl)c(c(c1)OC)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 C21H19ClN2O6 MW 430.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6/c1-3-29-16-6-4-5-15(10-16)24-21(27)14(11-23)7-13-8-17(22)20(18(9-13)28-2)30-12-19(25)26/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/b14-7+InChIKey
TXZDASCVDKWLCQ-VGOFMYFVSA-NSynonyms
(2CHLORO4((1E)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)ACETICACID
2(2CHLORO4((E)2CYANO3(3ETHOXYANILINO)3OXOPROP1ENYL)6METHOXYPHENOXY)ACETICACID
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)O)OC)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(Cl)c(c(c1)OC)OCC(=O)O)C#N
InChI=1SC21H19ClN2O6c13291664515(1016)2421(27)14(1123)713817(22)20(18(913)282)301219(25)26h410H312H212H3(H2427)(H2526)b147+
MFCD05039723
ZINC000009907193
ZINC9907193
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