Vitas-M small molecule compound
methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
Catalog ID
STK186495
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1cc(Cl)c(c(c1)OC)OCC(=O)OC)/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 C22H21ClN2O6 MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O6/c1-4-30-17-7-5-6-16(11-17)25-22(27)15(12-24)8-14-9-18(23)21(19(10-14)28-2)31-13-20(26)29-3/h5-11H,4,13H2,1-3H3,(H,25,27)/b15-8-InChIKey
OLMSJPJSSMSTNL-NVNXTCNLSA-NSynonyms
5903-71-95903719
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(Cl)c(c(c1)OC)OCC(=O)OC)C#N
InChI=1SC22H21ClN2O6c14301775616(1117)2522(27)15(1224)814918(23)21(19(1014)282)311320(26)293h511H413H213H3(H2527)b158
METHYL(2CHLORO4((1Z)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)ACETATE
METHYL2(2CHLORO4((Z)2CYANO3(3ETHOXYANILINO)3OXOPROP1ENYL)6METHOXYPHENOXY)ACETATE
MFCD01909657
ZINC000006573642
ZINC06573642
ZINC6573642
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