Vitas-M small molecule compound
2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK743986
SMILES O=C(Nc1ccc(cc1)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 C22H19F2N5O3S MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F2N5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-5-3-4-6-16(13)24)21(26-19)33-12-17(30)25-15-9-7-14(23)8-10-15/h3-10H,11-12H2,1-2H3,(H,25,30)InChIKey
RCXZYGJFUQFGTI-UHFFFAOYSA-NSynonyms
2((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(4fluorophenyl)acetamide
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)CC4=CC=CC=C4F
InChI=1SC22H19F2N5O3Sc1271918(20(31)28(2)22(27)32)29(1113534616(13)24)21(2619)331217(30)25159714(23)81015h310H1112H212H3(H2530)
MFCD05257170
N(4FLUOROPHENYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000001422098
ZINC01422098
ZINC1422098
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