Vitas-M small molecule compound
8-(1H-benzimidazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK600280
SMILES CC(=C)Cn1c(Sc2nc3c([nH]2)cccc3)nc2c1c(O)nc(=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 C17H16N6O2S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N6O2S/c1-9(2)8-23-12-13(22(3)16(25)21-14(12)24)20-17(23)26-15-18-10-6-4-5-7-11(10)19-15/h4-7H,1,8H2,2-3H3,(H,18,19)(H,21,24,25)InChIKey
IHZWBRNHYRHMTP-UHFFFAOYSA-NSynonyms
868213-92-78((1HBENZO(D)IMIDAZOL2YL)THIO)3METHYL7(2METHYLALLYL)1HPURINE26(3H7H)DIONE
8(1HBENZIMIDAZOL2YLSULFANYL)3METHYL7(2METHYLPROP2ENYL)PURINE26DIONE
8(1Hbenzimidazol2ylsulfanyl)6hydroxy3methyl7(2methylprop2en1yl)37dihydro2Hpurin2one
868213927
8BENZIMIDAZOL2YLTHIO3METHYL7(2METHYLPROP2ENYL)137TRIHYDROPURINE26DIONE
CC(=C)Cn1c(Sc2nc3c((nH)2)cccc3)nc2c1c(O)nc(=O)n2C
CC(=C)CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C
InChI=1SC17H16N6O2Sc19(2)8231213(22(3)16(25)2114(12)24)2017(23)26151810645711(10)1915h47H18H223H3(H1819)(H212425)
MFCD07211946
ZINC000037868690
ZINC03859256
ZINC37868690
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