Vitas-M small molecule compound
N-(3,4-difluorophenyl)-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK743726
SMILES O=C(Nc1ccc(c(c1)F)F)CSc1nc2c(n1Cc1ccccc1F)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 C22H18F3N5O3S MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N5O3S/c1-28-19-18(20(32)29(2)22(28)33)30(10-12-5-3-4-6-14(12)23)21(27-19)34-11-17(31)26-13-7-8-15(24)16(25)9-13/h3-9H,10-11H2,1-2H3,(H,26,31)InChIKey
ZOYCSVGGRWJFHW-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)CC4=CC=CC=C4F
InChI=1SC22H18F3N5O3Sc1281918(20(32)29(2)22(28)33)30(1012534614(12)23)21(2719)341117(31)26137815(24)16(25)913h39H1011H212H3(H2631)
MFCD05854646
N(34difluorophenyl)2((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(34DIFLUOROPHENYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000001425461
ZINC01425461
ZINC1425461
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