Vitas-M small molecule compound

5-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(2-nitrophenyl)ethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Catalog ID
STL349643
SMILES COc1cc2CCN=C(c2cc1OC)CC(c1c(O)n(C)c(=O)n(c1=O)C)c1ccccc1[N+](=O)[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 C25H26N4O7 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O7/c1-27-23(30)22(24(31)28(2)25(27)32)17(15-7-5-6-8-19(15)29(33)34)12-18-16-13-21(36-4)20(35-3)11-14(16)9-10-26-18/h5-8,11,13,17,30H,9-10,12H2,1-4H3
InChIKey
ULJTTXQHUDMHBD-UHFFFAOYSA-N
Synonyms
899406-47-4
5(2(67dimethoxy34dihydroisoquinolin1yl)1(2nitrophenyl)ethyl)6hydroxy13dimethylpyrimidine24(1H3H)dione
5(2(67DIMETHOXY34DIHYDROISOQUINOLIN1YL)1(2NITROPHENYL)ETHYL)6HYDROXY13DIMETHYLPYRIMIDINE24DIONE
899406474
CN1C(=C(C(=O)N(C1=O)C)C(CC2=NCCC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4(N+)(=O)(O))O
COc1cc2CCN=C(c2cc1OC)CC(c1c(O)n(C)c(=O)n(c1=O)C)c1ccccc1(N+)(=O)(O)
InChI=1SC25H26N4O7c12723(30)22(24(31)28(2)25(27)32)17(15756819(15)29(33)34)1218161321(364)20(353)1114(16)9102618h5811131730H91012H214H3
MFCD06608863
ZINC000009331159
ZINC000013540783

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Available files

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