Vitas-M small molecule compound
2-{[5-(4-chlorobenzyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Catalog ID
STK299025
SMILES O=C(Nc1ccc(cc1)C(C)C)CSc1nc(O)c(c(=O)[nH]1)Cc1ccc(cc1)Cl
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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-13(2)15-5-9-17(10-6-15)24-19(27)12-30-22-25-20(28)18(21(29)26-22)11-14-3-7-16(23)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H2,25,26,28,29)InChIKey
VPEZPSSFPSNFMT-UHFFFAOYSA-NSynonyms
2((5((4chlorophenyl)methyl)4hydroxy6oxo1Hpyrimidin2yl)sulfanyl)N(4propan2ylphenyl)acetamide
2((5(4chlorobenzyl)4hydroxy6oxo16dihydropyrimidin2yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O
InChI=1SC22H22ClN3O3Sc113(2)155917(10615)2419(27)1230222520(28)18(21(29)2622)11143716(23)8414h31013H1112H212H3(H2427)(H225262829)
MFCD09961233
O=C(Nc1ccc(cc1)C(C)C)CSc1nc(O)c(c(=O)(nH)1)Cc1ccc(cc1)Cl
ZINC000013957192
ZINC13957192
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