Vitas-M small molecule compound
5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Catalog ID
STL349502
SMILES COc1cc2C(=NCCc2cc1OC)CC(c1ccccc1[N+](=O)[O-])c1c(O)[nH]c(=O)[nH]c1=O
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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 C23H22N4O7 MW 466.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O7/c1-33-18-9-12-7-8-24-16(14(12)11-19(18)34-2)10-15(13-5-3-4-6-17(13)27(31)32)20-21(28)25-23(30)26-22(20)29/h3-6,9,11,15H,7-8,10H2,1-2H3,(H3,25,26,28,29,30)InChIKey
FBNPRSCBVQHWAQ-UHFFFAOYSA-NSynonyms
1189912-68-21189912682
5(2(67DIMETHOXY34DIHYDROISOQUINOLIN1YL)1(2NITROPHENYL)ETHYL)6HYDROXY1HPYRIMIDINE24DIONE
5(2(67dimethoxy34dihydroisoquinolin1yl)1(2nitrophenyl)ethyl)6hydroxypyrimidine24(1H3H)dione
COC1=C(C=C2C(=C1)CCN=C2CC(C3=CC=CC=C3(N+)(=O)(O))C4=C(NC(=O)NC4=O)O)OC
COc1cc2C(=NCCc2cc1OC)CC(c1ccccc1(N+)(=O)(O))c1c(O)(nH)c(=O)(nH)c1=O
InChI=1SC23H22N4O7c13318912782416(14(12)1119(18)342)1015(13534617(13)27(31)32)2021(28)2523(30)2622(20)29h3691115H7810H212H3(H32526282930)
MFCD06597078
ZINC000004648392
ZINC000009012284
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