Vitas-M small molecule compound
methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Catalog ID
STK182565
SMILES COC(=O)COc1cc(Br)c(cc1OC)/C=C(\C(=O)Nc1ccc(cc1)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 C21H19BrN2O6 MW 475.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O6/c1-27-16-6-4-15(5-7-16)24-21(26)14(11-23)8-13-9-18(28-2)19(10-17(13)22)30-12-20(25)29-3/h4-10H,12H2,1-3H3,(H,24,26)/b14-8-InChIKey
DESYCUZRGIPLDC-ZSOIEALJSA-NSynonyms
COC(=O)COc1cc(Br)c(cc1OC)C=C(C(=O)Nc1ccc(cc1)OC)C#N
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)C#N
InChI=1SC21H19BrN2O6c127166415(5716)2421(26)14(1123)813918(282)19(1017(13)22)301220(25)293h410H12H213H3(H2426)b148
METHYL(5BROMO4((1Z)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETATE
METHYL2(5BROMO4((Z)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)2METHOXYPHENOXY)ACETATE
MFCD02052283
ZINC000006645307
ZINC06645307
ZINC6645307
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