Vitas-M small molecule compound
methyl (5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Catalog ID
STK186404
SMILES COc1cc(/C=C(\C(=O)Nc2ccc(cc2)Cl)/C#N)c(cc1OCC(=O)OC)Br
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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 C20H16BrClN2O5 MW 479.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O5/c1-27-17-8-12(16(21)9-18(17)29-11-19(25)28-2)7-13(10-23)20(26)24-15-5-3-14(22)4-6-15/h3-9H,11H2,1-2H3,(H,24,26)/b13-7-InChIKey
IOSGXRAOEYXFKW-QPEQYQDCSA-NSynonyms
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)Br)OCC(=O)OC
COc1cc(C=C(C(=O)Nc2ccc(cc2)Cl)C#N)c(cc1OCC(=O)OC)Br
InChI=1SC20H16BrClN2O5c12717812(16(21)918(17)291119(25)282)713(1023)20(26)24155314(22)4615h39H11H212H3(H2426)b137
METHYL(5BROMO4((1Z)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETATE
methyl2(5bromo4((Z)3(4chloroanilino)2cyano3oxoprop1enyl)2methoxyphenoxy)acetate
MFCD02193567
ZINC000009907416
ZINC09907416
ZINC9907416
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