Vitas-M small molecule compound
methyl (4-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Catalog ID
STK185147
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)OC)/C(=O)Nc1cc(Cl)ccc1C
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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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-13-4-6-16(22)10-17(13)24-21(26)15(11-23)8-14-5-7-18(19(9-14)27-2)29-12-20(25)28-3/h4-10H,12H2,1-3H3,(H,24,26)/b15-8+InChIKey
WPUQUMMVYMZZOS-OVCLIPMQSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)OC)OC)C#N
InChI=1SC21H19ClN2O5c1134616(22)1017(13)2421(26)15(1123)8145718(19(914)272)291220(25)283h410H12H213H3(H2426)b158+
METHYL(4((1E)3((5CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETATE
METHYL2(4((1E)2(N(5CHLORO2METHYLPHENYL)CARBAMOYL)2CYANOVINYL)2METHOXYPHENOXY)ACETATE
METHYL2(4((E)3(5CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)2METHOXYPHENOXY)ACETATE
MFCD03181812
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)OC)C(=O)Nc1cc(Cl)ccc1C
ZINC000004525077
ZINC04525077
ZINC4525077
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