Vitas-M small molecule compound
methyl (2-chloro-4-{(1E)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
Catalog ID
STK364664
SMILES COC(=O)COc1c(Cl)cc(cc1OC)/C=C(/C(=O)Nc1ccc(cc1)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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-27-17-9-12(8-16(21)19(17)29-11-18(25)28-2)7-13(10-22)20(26)23-14-3-5-15(24)6-4-14/h3-9,24H,11H2,1-2H3,(H,23,26)/b13-7+InChIKey
WBPVXLBEAJWWME-NTUHNPAUSA-NSynonyms
COC(=O)COc1c(Cl)cc(cc1OC)C=C(C(=O)Nc1ccc(cc1)O)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)Cl)OCC(=O)OC
InChI=1SC20H17ClN2O6c12717912(816(21)19(17)291118(25)282)713(1022)20(26)23143515(24)6414h3924H11H212H3(H2326)b137+
METHYL(2CHLORO4((1E)2CYANO3((4HYDROXYPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)ACETATE
METHYL2(2CHLORO4((E)2CYANO3(4HYDROXYANILINO)3OXOPROP1ENYL)6METHOXYPHENOXY)ACETATE
METHYL2(4((1E)2CYANO2(N(4HYDROXYPHENYL)CARBAMOYL)VINYL)2CHLORO6METHOXYPHENOXY)ACETATE
MFCD04966511
ZINC000004525117
ZINC04525117
ZINC4525117
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