Vitas-M small molecule compound
2-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STK743811
SMILES O=C(NCc1cccs1)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 C22H23N5O3S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S2/c1-14-6-8-15(9-7-14)12-27-18-19(25(2)22(30)26(3)20(18)29)24-21(27)32-13-17(28)23-11-16-5-4-10-31-16/h4-10H,11-13H2,1-3H3,(H,23,28)InChIKey
ZELGEYCPUBBUPU-UHFFFAOYSA-NSynonyms
865148-74-92((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(thiophen2ylmethyl)acetamide
2((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)N(thiophen2ylmethyl)acetamide
2(13DIMETHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLN(THIOPHEN2YLMETHYL)ACETAMIDE
865148749
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NCC4=CC=CS4)N(C(=O)N(C3=O)C)C
InChI=1SC22H23N5O3S2c1146815(9714)12271819(25(2)22(30)26(3)20(18)29)2421(27)321317(28)23111654103116h410H1113H213H3(H2328)
MFCD08286474
ZINC000009130751
ZINC09130751
ZINC9130751
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