Vitas-M small molecule compound
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK774370
SMILES CC1CCN(CC1)c1nc2c(n1CC(=O)c1cccc(c1)[N+](=O)[O-])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 C21H24N6O5 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O5/c1-13-7-9-25(10-8-13)20-22-18-17(19(29)24(3)21(30)23(18)2)26(20)12-16(28)14-5-4-6-15(11-14)27(31)32/h4-6,11,13H,7-10,12H2,1-3H3InChIKey
HPJIZGOGWUTJCZ-UHFFFAOYSA-NSynonyms
13dimethyl8(4methylpiperidin1yl)7(2(3nitrophenyl)2oxoethyl)37dihydro1Hpurine26dione
13DIMETHYL8(4METHYLPIPERIDIN1YL)7(2(3NITROPHENYL)2OXOETHYL)PURINE26DIONE
CC1CCN(CC1)c1nc2c(n1CC(=O)c1cccc(c1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
CC1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N(C(=O)N3C)C
InChI=1SC21H24N6O5c1137925(10813)20221817(19(29)24(3)21(30)23(18)2)26(20)1216(28)1454615(1114)27(31)32h461113H71012H213H3
MFCD04060657
ZINC000001444555
ZINC01444555
ZINC1444555
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