Vitas-M small molecule compound

5-[({[7-(2-chlorobenzyl)-1,3-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
STK767883
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2c(n1Cc1ccccc1Cl)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 C25H22ClN9O4S MW 580.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN9O4S/c1-32-22-19(23(38)33(2)25(32)39)34(12-14-8-6-7-11-16(14)26)24(29-22)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
DBOGWXIYYBUWNS-UHFFFAOYSA-N
Synonyms

5((((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)2PHENYLTRIAZOLE4CARBOXAMIDE
5(2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXO(137TRIHYDROPURIN8YLTHIO))ACETYLAMINO)2PHENYL123TRIAZOLE4CARBOXAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)CC5=CC=CC=C5Cl
InChI=1SC25H22ClN9O4Sc1322219(23(38)33(2)25(32)39)34(12148671116(14)26)24(2922)401317(36)282118(20(27)37)3035(3121)1594351015h311H1213H212H3(H22737)(H283136)
MFCD03133587
ZINC000002192270
ZINC2192270

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Available files

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