Vitas-M small molecule compound
N-(3,4-difluorophenyl)-2-{[1,3-dimethyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK773905
SMILES O=C(Nc1ccc(c(c1)F)F)CSc1nc2c(n1Cc1ccccc1C)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 C23H21F2N5O3S MW 485.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F2N5O3S/c1-13-6-4-5-7-14(13)11-30-19-20(28(2)23(33)29(3)21(19)32)27-22(30)34-12-18(31)26-15-8-9-16(24)17(25)10-15/h4-10H,11-12H2,1-3H3,(H,26,31)InChIKey
VSJXQKWXUZQYBQ-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)F)F)N(C(=O)N(C3=O)C)C
InChI=1SC23H21F2N5O3Sc113645714(13)11301920(28(2)23(33)29(3)21(19)32)2722(30)341218(31)26158916(24)17(25)1015h410H1112H213H3(H2631)
MFCD03855823
N(34difluorophenyl)2((13dimethyl7(2methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(34DIFLUOROPHENYL)2(13DIMETHYL7((2METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000001080916
ZINC01080916
ZINC1080916
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