Vitas-M small molecule compound
N-cyclopentyl-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK743638
SMILES O=C(NC1CCCC1)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 C21H24FN5O3S MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN5O3S/c1-25-18-17(19(29)26(2)21(25)30)27(11-13-7-3-6-10-15(13)22)20(24-18)31-12-16(28)23-14-8-4-5-9-14/h3,6-7,10,14H,4-5,8-9,11-12H2,1-2H3,(H,23,28)InChIKey
XTSAKKCJBWVFNF-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC=C4F
InChI=1SC21H24FN5O3Sc1251817(19(29)26(2)21(25)30)27(11137361015(13)22)20(2418)311216(28)2314845914h3671014H45891112H212H3(H2328)
MFCD05854793
Ncyclopentyl2((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
NCYCLOPENTYL2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000001425629
ZINC01425629
ZINC1425629
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