Vitas-M small molecule compound
1,3-dimethyl-7-(2-methylbenzyl)-8-[(1H-tetrazol-5-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK743672
SMILES Cc1ccccc1Cn1c(SCc2nnn[nH]2)nc2c1c(=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 C17H18N8O2S MW 398.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O2S/c1-10-6-4-5-7-11(10)8-25-13-14(23(2)17(27)24(3)15(13)26)18-16(25)28-9-12-19-21-22-20-12/h4-7H,8-9H2,1-3H3,(H,19,20,21,22)InChIKey
KMFKUFUPNDEECK-UHFFFAOYSA-NSynonyms
812641-67-113dimethyl7((2methylphenyl)methyl)8(2Htetrazol5ylmethylsulfanyl)purine26dione
13dimethyl7(2methylbenzyl)8((1Htetrazol5ylmethyl)sulfanyl)37dihydro1Hpurine26dione
8(((1Htetrazol5yl)methyl)thio)13dimethyl7(2methylbenzyl)1Hpurine26(3H7H)dione
812641671
CC1=CC=CC=C1CN2C3=C(N=C2SCC4=NNN=N4)N(C(=O)N(C3=O)C)C
Cc1ccccc1Cn1c(SCc2nnn(nH)2)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC17H18N8O2Sc110645711(10)8251314(23(2)17(27)24(3)15(13)26)1816(25)289121921222012h47H89H213H3(H19202122)
MFCD06124812
ZINC000009130706
ZINC9130706
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