Vitas-M small molecule compound
5-[({[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Catalog ID
STK769075
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl
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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 C25H22ClN9O4S MW 580.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN9O4S/c1-32-19-22(33(2)25(39)34(23(19)38)12-14-8-6-7-11-16(14)26)29-24(32)40-13-17(36)28-21-18(20(27)37)30-35(31-21)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H2,27,37)(H,28,31,36)InChIKey
WVRVQCQRLABLDR-UHFFFAOYSA-NSynonyms
5((((1(2chlorobenzyl)37dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2(1((2CHLOROPHENYL)METHYL)37DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)2PHENYLTRIAZOLE4CARBOXAMIDE
CN1C2=C(N=C1SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5Cl)C
InChI=1SC25H22ClN9O4Sc1321922(33(2)25(39)34(23(19)38)12148671116(14)26)2924(32)401317(36)282118(20(27)37)3035(3121)1594351015h311H1213H212H3(H22737)(H283136)
MFCD03408401
ZINC000002192325
ZINC2192325
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