Vitas-M small molecule compound
2-{[1-(2,4-dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STK679112
SMILES O=C(Nc1ccc(cc1)OC(F)(F)F)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)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 C23H18Cl2F3N5O4S MW 588.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2F3N5O4S/c1-31-18-19(32(2)22(36)33(20(18)35)10-12-3-4-13(24)9-16(12)25)30-21(31)38-11-17(34)29-14-5-7-15(8-6-14)37-23(26,27)28/h3-9H,10-11H2,1-2H3,(H,29,34)InChIKey
XJIMXLJEXSEPPW-UHFFFAOYSA-NSynonyms
2((1(24dichlorobenzyl)37dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4(trifluoromethoxy)phenyl)acetamide
2(1((24DICHLOROPHENYL)METHYL)37DIMETHYL26DIOXOPURIN8YL)SULFANYLN(4(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
CN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C
InChI=1SC23H18Cl2F3N5O4Sc1311819(32(2)22(36)33(20(18)35)10123413(24)916(12)25)3021(31)381117(34)29145715(8614)3723(2627)28h39H1011H212H3(H2934)
MFCD03408406
ZINC000000719730
ZINC719730
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