Vitas-M small molecule compound
{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STL303835
SMILES OC(=O)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 C17H18N4O4S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4S/c1-10-4-6-11(7-5-10)8-21-13-14(18-16(21)26-9-12(22)23)19(2)17(25)20(3)15(13)24/h4-7H,8-9H2,1-3H3,(H,22,23)InChIKey
HINFPZMLNCBXAT-UHFFFAOYSA-NSynonyms
372174-50-0((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(13DIMETHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETICACID
372174500
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)O)N(C(=O)N(C3=O)C)C
InChI=1SC17H18N4O4Sc1104611(7510)8211314(1816(21)26912(22)23)19(2)17(25)20(3)15(13)24h47H89H213H3(H2223)
MFCD01879645
ZINC000169789074
ZINC169789074
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