Vitas-M small molecule compound
8-(azepan-1-yl)-6-hydroxy-3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STL040766
SMILES Cc1csc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1
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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 C18H24N6O2S2 MW 420.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O2S2/c1-12-11-28-18(19-12)27-10-9-24-13-14(22(2)17(26)21-15(13)25)20-16(24)23-7-5-3-4-6-8-23/h11H,3-10H2,1-2H3,(H,21,25,26)InChIKey
MBYVRHCBJXWIDO-UHFFFAOYSA-NSynonyms
476482561
8(AZEPAN1YL)3METHYL7(2((4METHYL13THIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
8(AZEPAN1YL)3METHYL7(2((4METHYLTHIAZOL2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(azepan1yl)6hydroxy3methyl7(2((4methyl13thiazol2yl)sulfanyl)ethyl)37dihydro2Hpurin2one
8AZAPERHYDROEPINYL3METHYL7(2(4METHYL(13THIAZOL2YLTHIO))ETHYL)137TRIHYDROPURINE26DIONE
CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C
InChI=1SC18H24N6O2S2c112112818(1912)27109241314(22(2)17(26)2115(13)25)2016(24)2375346823h11H310H212H3(H212526)
MFCD05730027
ZINC000001267566
ZINC01267566
ZINC1267566
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