Vitas-M small molecule compound
5-({[(7-ethyl-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
STK769076
SMILES CCn1c(SCC(=O)Nc2nn(nc2C(=O)N)c2ccccc2)nc2c1c(=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 C20H21N9O4S MW 483.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N9O4S/c1-4-28-14-17(26(2)20(33)27(3)18(14)32)23-19(28)34-10-12(30)22-16-13(15(21)31)24-29(25-16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H2,21,31)(H,22,25,30)InChIKey
ALFMUIKESNWPIS-UHFFFAOYSA-NSynonyms
5((((7ethyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2(7ETHYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)2PHENYLTRIAZOLE4CARBOXAMIDE
5(2(7ETHYL13DIMETHYL26DIOXO(137TRIHYDROPURIN8YLTHIO))ACETYLAMINO)2PHENYL123TRIAZOLE4CARBOXAMIDE
CCN1C2=C(N=C1SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C
InChI=1SC20H21N9O4Sc14281417(26(2)20(33)27(3)18(14)32)2319(28)341012(30)221613(15(21)31)2429(2516)118657911h59H410H213H3(H22131)(H222530)
MFCD03408403
ZINC000002192326
ZINC02192326
ZINC2192326
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