Vitas-M small molecule compound
8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL055129
SMILES O=c1n(Cc2ccc(cc2)[N+](=O)[O-])c(=O)c2c(n1C)nc(n2C)NC1CCCC1
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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 C19H22N6O4 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O4/c1-22-15-16(21-18(22)20-13-5-3-4-6-13)23(2)19(27)24(17(15)26)11-12-7-9-14(10-8-12)25(28)29/h7-10,13H,3-6,11H2,1-2H3,(H,20,21)InChIKey
IYFGYGVFJINCKI-UHFFFAOYSA-NSynonyms
714932-84-0714932840
8(CYCLOPENTYLAMINO)37DIMETHYL1((4NITROPHENYL)METHYL)PURINE26DIONE
8(cyclopentylamino)37dimethyl1(4nitrobenzyl)1Hpurine26(3H7H)dione
8(cyclopentylamino)37dimethyl1(4nitrobenzyl)37dihydro1Hpurine26dione
CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC19H22N6O4c1221516(2118(22)2013534613)23(2)19(27)24(17(15)26)11127914(10812)25(28)29h71013H3611H212H3(H2021)
MFCD04181589
O=c1n(Cc2ccc(cc2)(N+)(=O)(O))c(=O)c2c(n1C)nc(n2C)NC1CCCC1
ZINC000001315872
ZINC01315872
ZINC1315872
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