Vitas-M small molecule compound

{[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid

Catalog ID
STK741200
SMILES OC(=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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-9-3-5-10(6-4-9)7-20-12-13(17-16(20)25-8-11(21)22)19(2)15(24)18-14(12)23/h3-6H,7-8H2,1-2H3,(H,21,22)(H,18,23,24)
InChIKey
FZPIBPUTDXCDGB-UHFFFAOYSA-N
Synonyms
303969-89-3
((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(3METHYL7((4METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(3METHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETICACID
303969893
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)O)N(C(=O)NC3=O)C
InChI=1SC16H16N4O4Sc193510(649)7201213(1716(20)25811(21)22)19(2)15(24)1814(12)23h36H78H212H3(H2122)(H182324)
MFCD01555182
OC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
ZINC000000850086
ZINC850086

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.