Vitas-M small molecule compound
N-(4-fluorobenzyl)-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK782402
SMILES O=C(NCc1ccc(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 C23H21F2N5O3S MW 485.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F2N5O3S/c1-28-20-19(21(32)29(2)23(28)33)30(12-15-5-3-4-6-17(15)25)22(27-20)34-13-18(31)26-11-14-7-9-16(24)10-8-14/h3-10H,11-13H2,1-2H3,(H,26,31)InChIKey
KORAFDPQAAZHKR-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC=C(C=C3)F)CC4=CC=CC=C4F
InChI=1SC23H21F2N5O3Sc1282019(21(32)29(2)23(28)33)30(1215534617(15)25)22(2720)341318(31)2611147916(24)10814h310H1113H212H3(H2631)
MFCD06017525
N((4FLUOROPHENYL)METHYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXO(137TRIHYDROPURIN8YLTHIO))ACETAMIDE
N((4FLUOROPHENYL)METHYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
N(4fluorobenzyl)2((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
ZINC000012427894
ZINC12427894
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