Vitas-M small molecule compound
8-{[1-(4-methoxy-3-nitrobenzyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK768364
SMILES COc1ccc(cc1[N+](=O)[O-])Cn1cnc(n1)Sc1nc2c(n1C)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 C18H18N8O5S MW 458.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N8O5S/c1-22-13-14(23(2)18(28)24(3)15(13)27)20-17(22)32-16-19-9-25(21-16)8-10-5-6-12(31-4)11(7-10)26(29)30/h5-7,9H,8H2,1-4H3InChIKey
SNUOIERUYYRSFI-UHFFFAOYSA-NSynonyms
8((1((4METHOXY3NITROPHENYL)METHYL)124TRIAZOL3YL)SULFANYL)137TRIMETHYLPURINE26DIONE
8((1(4METHOXY3NITROBENZYL)1H124TRIAZOL3YL)SULFANYL)137TRIMETHYL37DIHYDRO1HPURINE26DIONE
8(1((4METHOXY3NITROPHENYL)METHYL)(124TRIAZOL3YLTHIO))137TRIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(N=C1SC3=NN(C=N3)CC4=CC(=C(C=C4)OC)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
COc1ccc(cc1(N+)(=O)(O))Cn1cnc(n1)Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C
InChI=1SC18H18N8O5Sc1221314(23(2)18(28)24(3)15(13)27)2017(22)321619925(2116)8105612(314)11(710)26(29)30h579H8H214H3
MFCD03175214
ZINC000002996345
ZINC02996345
ZINC2996345
Check stock
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