Vitas-M small molecule compound
5-[({[1-(2,4-dichlorobenzyl)-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
STK679119
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl
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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 C25H21Cl2N9O4S MW 614.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N9O4S/c1-33-19-22(34(2)25(40)35(23(19)39)11-13-8-9-14(26)10-16(13)27)30-24(33)41-12-17(37)29-21-18(20(28)38)31-36(32-21)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,28,38)(H,29,32,37)InChIKey
HKZXRPVJGBMSAH-UHFFFAOYSA-NSynonyms
5((((1(24dichlorobenzyl)37dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2(1((24DICHLOROPHENYL)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=C(C=C(C=C5)Cl)Cl)C
InChI=1SC25H21Cl2N9O4Sc1331922(34(2)25(40)35(23(19)39)11138914(26)1016(13)27)3024(33)411217(37)292118(20(28)38)3136(3221)156435715h310H1112H212H3(H22838)(H293237)
MFCD03408420
ZINC000004019817
ZINC4019817
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