Vitas-M small molecule compound
2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STK678836
SMILES O=C(Nc1ccc(cc1)OC(F)(F)F)CSc1nc2c(n1Cc1cccc(c1)Cl)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 C23H19ClF3N5O4S MW 553.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClF3N5O4S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-4-3-5-14(24)10-13)21(29-19)37-12-17(33)28-15-6-8-16(9-7-15)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33)InChIKey
QPRXEBRLQOLKKX-UHFFFAOYSA-NSynonyms
2((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4(trifluoromethoxy)phenyl)acetamide
2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(4(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)CC4=CC(=CC=C4)Cl
InChI=1SC23H19ClF3N5O4Sc1301918(20(34)31(2)22(30)35)32(111343514(24)1013)21(2919)371217(33)28156816(9715)3623(2526)27h310H1112H212H3(H2833)
MFCD03133932
ZINC000000720452
ZINC720452
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