Vitas-M small molecule compound
2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Catalog ID
STK667348
SMILES O=C(Nc1ccccc1F)CSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)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 C23H19F4N5O3S MW 521.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F4N5O3S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-6-5-7-14(10-13)23(25,26)27)21(29-19)36-12-17(33)28-16-9-4-3-8-15(16)24/h3-10H,11-12H2,1-2H3,(H,28,33)InChIKey
CGTYJHMTHJRTKY-UHFFFAOYSA-NSynonyms
2((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)N(2fluorophenyl)acetamide
2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLN(2FLUOROPHENYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3F)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC23H19F4N5O3Sc1301918(20(34)31(2)22(30)35)32(111365714(1013)23(2526)27)21(2919)361217(33)2816943815(16)24h310H1112H212H3(H2833)
MFCD05855058
ZINC000001425919
ZINC1425919
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