Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK952723
SMILES N#C/C(=C\c1cc(Br)ccc1O)/C(=O)Nc1sc(c(c1C(=O)OC)C)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 C18H15BrN2O4S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O4S/c1-9-10(2)26-17(15(9)18(24)25-3)21-16(23)12(8-20)6-11-7-13(19)4-5-14(11)22/h4-7,22H,1-3H3,(H,21,23)/b12-6+InChIKey
YJEBSCUAANSUJK-WUXMJOGZSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N)C
InChI=1SC18H15BrN2O4Sc1910(2)2617(15(9)18(24)253)2116(23)12(820)611713(19)4514(11)22h4722H13H3(H2123)b126+
methyl2(((2E)3(5bromo2hydroxyphenyl)2cyanoprop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02957228
N#CC(=Cc1cc(Br)ccc1O)C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000001453447
ZINC01453447
ZINC1453447
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