Vitas-M small molecule compound
8-(hexylamino)-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK984068
SMILES CCCCCCNc1nc2c(n1Cc1ccc(cc1)[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 C20H26N6O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O4/c1-4-5-6-7-12-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)13-14-8-10-15(11-9-14)26(29)30/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)InChIKey
ZYPLKMVPVBNCDA-UHFFFAOYSA-NSynonyms
847852-95-38(HEXYLAMINO)13DIMETHYL7((4NITROPHENYL)METHYL)PURINE26DIONE
8(hexylamino)13dimethyl7(4nitrobenzyl)1Hpurine26(3H7H)dione
8(hexylamino)13dimethyl7(4nitrobenzyl)37dihydro1Hpurine26dione
847852953
CCCCCCNC1=NC2=C(N1CC3=CC=C(C=C3)(N+)(=O)(O))C(=O)N(C(=O)N2C)C
CCCCCCNc1nc2c(n1Cc1ccc(cc1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
InChI=1SC20H26N6O4c14567122119221716(18(27)24(3)20(28)23(17)2)25(19)131481015(11914)26(29)30h811H471213H213H3(H2122)
MFCD04028748
ZINC000002430477
ZINC02430477
ZINC2430477
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