Vitas-M small molecule compound
2-{[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK010044
SMILES NC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]c(=O)n2C
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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 C16H17N5O3S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S/c1-9-3-5-10(6-4-9)7-21-12-13(18-16(21)25-8-11(17)22)20(2)15(24)19-14(12)23/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,19,23,24)InChIKey
HSQSBMNHYMJPTN-UHFFFAOYSA-NSynonyms
303970-33-42((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)acetamide
2(3METHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETAMIDE
303970334
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C
InChI=1SC16H17N5O3Sc193510(649)7211213(1816(21)25811(17)22)20(2)15(24)1914(12)23h36H78H212H3(H21722)(H192324)
MFCD01555554
NC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
STK010044
ZINC000000845756
ZINC00845756
ZINC845756
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