Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-5-methylthiophene-3-carboxylate
Catalog ID
STK434355
SMILES N#C/C(=C\c1cc(Br)ccc1O)/C(=O)Nc1sc(cc1C(=O)OC)C
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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 C17H13BrN2O4S MW 421.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O4S/c1-9-5-13(17(23)24-2)16(25-9)20-15(22)11(8-19)6-10-7-12(18)3-4-14(10)21/h3-7,21H,1-2H3,(H,20,22)/b11-6+InChIKey
CXRFSOWYAVZFRQ-IZZDOVSWSA-NSynonyms
CC1=CC(=C(S1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N)C(=O)OC
InChI=1SC17H13BrN2O4Sc19513(17(23)242)16(259)2015(22)11(819)610712(18)3414(10)21h3721H12H3(H2022)b116+
methyl2(((2E)3(5bromo2hydroxyphenyl)2cyanoprop2enoyl)amino)5methylthiophene3carboxylate
METHYL2(((E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD03942745
N#CC(=Cc1cc(Br)ccc1O)C(=O)Nc1sc(cc1C(=O)OC)C
ZINC000017092578
ZINC17092578
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