Vitas-M small molecule compound
5-[({[1,3-dimethyl-7-(4-methylbenzyl)-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
STK769087
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2c(n1Cc1ccc(cc1)C)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 C26H25N9O4S MW 559.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N9O4S/c1-15-9-11-16(12-10-15)13-34-20-23(32(2)26(39)33(3)24(20)38)29-25(34)40-14-18(36)28-22-19(21(27)37)30-35(31-22)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H2,27,37)(H,28,31,36)InChIKey
OWIORHKQYTYEOR-UHFFFAOYSA-NSynonyms
5((((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2(13DIMETHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)2PHENYLTRIAZOLE4CARBOXAMIDE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4=NN(N=C4C(=O)N)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C
InChI=1SC26H25N9O4Sc11591116(121015)13342023(32(2)26(39)33(3)24(20)38)2925(34)401418(36)282219(21(27)37)3035(3122)177546817h412H1314H213H3(H22737)(H283136)
MFCD03408421
ZINC000002192336
ZINC2192336
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