Vitas-M small molecule compound
6-hydroxy-3-methyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK569431
SMILES C=CCn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C
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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 C12H13N7O2S MW 319.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N7O2S/c1-4-5-19-7-8(18(3)10(21)15-9(7)20)14-11(19)22-12-16-13-6-17(12)2/h4,6H,1,5H2,2-3H3,(H,15,20,21)InChIKey
PIRJENZDPZKHDK-UHFFFAOYSA-NSynonyms
713090-94-93METHYL8((4METHYL124TRIAZOL3YL)SULFANYL)7PROP2ENYLPURINE26DIONE
3METHYL8(4METHYL(124TRIAZOL3YLTHIO))7PROP2ENYL137TRIHYDROPURINE26DIONE
6hydroxy3methyl8((4methyl4H124triazol3yl)sulfanyl)7(prop2en1yl)37dihydro2Hpurin2one
713090949
7ALLYL3METHYL8(4METHYL4H(124)TRIAZOL3YLSULFANYL)37DIHYDROPURINE26DIONE
CN1C=NN=C1SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C
InChI=1SC12H13N7O2Sc1451978(18(3)10(21)159(7)20)1411(19)22121613617(12)2h46H15H223H3(H152021)
MFCD05725233
ZINC000000537621
ZINC00537621
ZINC537621
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