Vitas-M small molecule compound
1,3-dimethyl-8-(morpholin-4-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK555977
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1
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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 C19H20N6O6 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O6/c1-21-16-15(17(27)22(2)19(21)28)24(18(20-16)23-6-8-31-9-7-23)11-14(26)12-4-3-5-13(10-12)25(29)30/h3-5,10H,6-9,11H2,1-2H3InChIKey
GTKBDMUZTAREFV-UHFFFAOYSA-NSynonyms
674362-29-913dimethyl8(morpholin4yl)7(2(3nitrophenyl)2oxoethyl)37dihydro1Hpurine26dione
13DIMETHYL8MORPHOLIN4YL7(2(3NITROPHENYL)2OXOETHYL)PURINE26DIONE
13dimethyl8morpholino7(2(3nitrophenyl)2oxoethyl)1Hpurine26(3H7H)dione
674362299
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC19H20N6O6c1211615(17(27)22(2)19(21)28)24(18(2016)2368319723)1114(26)1243513(1012)25(29)30h3510H6911H212H3
MFCD04014863
O=C(c1cccc(c1)(N+)(=O)(O))Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1
ZINC000009312571
ZINC09312571
ZINC9312571
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