Vitas-M small molecule compound
2-{[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Catalog ID
STK743432
SMILES O=C(Nc1ccc(cc1F)F)CSc1nc2c(n1Cc1ccc(cc1)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 C22H18ClF2N5O3S MW 505.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClF2N5O3S/c1-28-19-18(20(32)29(2)22(28)33)30(10-12-3-5-13(23)6-4-12)21(27-19)34-11-17(31)26-16-8-7-14(24)9-15(16)25/h3-9H,10-11H2,1-2H3,(H,26,31)InChIKey
LGVIDUIFPJCLQV-UHFFFAOYSA-NSynonyms
2((7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(24difluorophenyl)acetamide
2(7((4CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(24DIFLUOROPHENYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)F)CC4=CC=C(C=C4)Cl
InChI=1SC22H18ClF2N5O3Sc1281918(20(32)29(2)22(28)33)30(10123513(23)6412)21(2719)341117(31)26168714(24)915(16)25h39H1011H212H3(H2631)
MFCD03855710
ZINC000001080857
ZINC01080857
ZINC1080857
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