Vitas-M small molecule compound
[(1,7-dibenzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
Catalog ID
STL323435
SMILES OC(=O)CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-24-19-18(20(29)26(22(24)30)13-16-10-6-3-7-11-16)25(12-15-8-4-2-5-9-15)21(23-19)31-14-17(27)28/h2-11H,12-14H2,1H3,(H,27,28)InChIKey
JOTSRCNEAZIFAT-UHFFFAOYSA-NSynonyms
313660-79-6((17dibenzyl3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((17dibenzyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(17BISBENZYL3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(17DIBENZYL3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
313660796
CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC(=O)O)CC4=CC=CC=C4
InChI=1SC22H20N4O4Sc1241918(20(29)26(22(24)30)1316106371116)25(12158425915)21(2319)311417(27)28h211H1214H21H3(H2728)
MFCD00658370
ZINC000005294902
ZINC5294902
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