Vitas-M small molecule compound
1,3-dimethyl-7-(4-nitrobenzyl)-8-[(tetrahydrofuran-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK984067
SMILES [O-][N+](=O)c1ccc(cc1)Cn1c(NCC2CCCO2)nc2c1c(=O)n(C)c(=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 C19H22N6O5 MW 414.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O5/c1-22-16-15(17(26)23(2)19(22)27)24(11-12-5-7-13(8-6-12)25(28)29)18(21-16)20-10-14-4-3-9-30-14/h5-8,14H,3-4,9-11H2,1-2H3,(H,20,21)InChIKey
QXZCERQCTYQDJK-UHFFFAOYSA-NSynonyms
847852-94-2(O)(N+)(=O)c1ccc(cc1)Cn1c(NCC2CCCO2)nc2c1c(=O)n(C)c(=O)n2C
13DIMETHYL7((4NITROPHENYL)METHYL)8(OXOLAN2YLMETHYLAMINO)PURINE26DIONE
13dimethyl7(4nitrobenzyl)8(((tetrahydrofuran2yl)methyl)amino)1Hpurine26(3H7H)dione
13dimethyl7(4nitrobenzyl)8((tetrahydrofuran2ylmethyl)amino)37dihydro1Hpurine26dione
847852942
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H22N6O5c1221615(17(26)23(2)19(22)27)24(11125713(8612)25(28)29)18(2116)2010144393014h5814H34911H212H3(H2021)
MFCD04028620
ZINC000002227285
ZINC000009425143
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