Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK743870
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2c(n1Cc1cccc(c1)Cl)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 C23H20ClN5O5S MW 513.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O5S/c1-27-20-19(21(31)28(2)23(27)32)29(10-13-4-3-5-14(24)8-13)22(26-20)35-11-18(30)25-15-6-7-16-17(9-15)34-12-33-16/h3-9H,10-12H2,1-2H3,(H,25,30)InChIKey
CLVNJCCVUGHTTK-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)Cl
InChI=1SC23H20ClN5O5Sc1272019(21(31)28(2)23(27)32)29(101343514(24)813)22(2620)351118(30)2515671617(915)34123316h39H1012H212H3(H2530)
MFCD02326501
N(13benzodioxol5yl)2((7(3chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(13BENZODIOXOL5YL)2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
N(2HBENZO(D)13DIOXOLEN5YL)2(7((3CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO(137TRIHYDROPURIN8YLTHIO))ACETAMIDE
ZINC000000677971
ZINC00677971
ZINC677971
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