Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[6-methyl-4-oxo-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL103635
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nc2cc([nH]c2c(=O)n1C(C)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 C19H18ClF3N4O2S MW 458.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClF3N4O2S/c1-9(2)27-17(29)16-14(6-10(3)24-16)26-18(27)30-8-15(28)25-13-7-11(19(21,22)23)4-5-12(13)20/h4-7,9,24H,8H2,1-3H3,(H,25,28)InChIKey
JFVXTDQVQDWQSG-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(C)C
InChI=1SC19H18ClF3N4O2Sc19(2)2717(29)1614(610(3)2416)2618(27)30815(28)2513711(19(2122)23)4512(13)20h47924H8H213H3(H2528)
MFCD20735237
N(2chloro5(trifluoromethyl)phenyl)2((6methyl4oxo3(propan2yl)45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((6methyl4oxo3propan2yl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
ZINC000067235948
ZINC67235948
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