Vitas-M small molecule compound
ethyl 2-({[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-5-(1-ethoxy-1-hydroxyethyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK911157
SMILES CCOC(=O)c1c(NC(=O)c2nc(SC)ncc2Br)sc(c1C)C(OCC)(O)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 C18H22BrN3O5S2 MW 504.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrN3O5S2/c1-6-26-16(24)11-9(3)13(18(4,25)27-7-2)29-15(11)22-14(23)12-10(19)8-20-17(21-12)28-5/h8,25H,6-7H2,1-5H3,(H,22,23)InChIKey
KYBDJCLCZGGQFC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(C)(O)OCC)NC(=O)C2=NC(=NC=C2Br)SC
ethyl2(((5bromo2(methylsulfanyl)pyrimidin4yl)carbonyl)amino)5(1ethoxy1hydroxyethyl)4methylthiophene3carboxylate
ethyl2((5bromo2methylsulfanylpyrimidine4carbonyl)amino)5(1ethoxy1hydroxyethyl)4methylthiophene3carboxylate
InChI=1SC18H22BrN3O5S2c162616(24)119(3)13(18(425)2772)2915(11)2214(23)1210(19)82017(2112)285h825H67H215H3(H2223)
MFCD07426071
ZINC000008915228
ZINC000008915229
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