Vitas-M small molecule compound
ethyl 2-[({5-chloro-2-[(4-fluorobenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK912927
SMILES CCOC(=O)c1c(NC(=O)c2nc(SCc3ccc(cc3)F)ncc2Cl)sc(c1C)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 C21H19ClFN3O3S2 MW 479.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN3O3S2/c1-4-29-20(28)16-11(2)12(3)31-19(16)26-18(27)17-15(22)9-24-21(25-17)30-10-13-5-7-14(23)8-6-13/h5-9H,4,10H2,1-3H3,(H,26,27)InChIKey
PZJUZAXNXLTIRZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F
ethyl2(((5chloro2((4fluorobenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)45dimethylthiophene3carboxylate
ethyl2((5chloro2((4fluorophenyl)methylsulfanyl)pyrimidine4carbonyl)amino)45dimethylthiophene3carboxylate
InChI=1SC21H19ClFN3O3S2c142920(28)1611(2)12(3)3119(16)2618(27)1715(22)92421(2517)3010135714(23)8613h59H410H213H3(H2627)
MFCD07427889
ZINC000008917374
ZINC08917374
ZINC8917374
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