Vitas-M small molecule compound
1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propanoate
Catalog ID
STK054412
SMILES CCC(=O)OC1=C2C(=Nc3c(C2c2cccc(c2)[N+](=O)[O-])c(=O)n(c(=O)n3C)C)c2c1cccc2
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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 C25H20N4O6 MW 472.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O6/c1-4-17(30)35-22-16-11-6-5-10-15(16)21-19(22)18(13-8-7-9-14(12-13)29(33)34)20-23(26-21)27(2)25(32)28(3)24(20)31/h5-12,18H,4H2,1-3H3InChIKey
JSHJANUYNSFEFY-UHFFFAOYSA-NSynonyms
371957-21-013dimethyl5(3nitrophenyl)24dioxo2345tetrahydro1Hindeno(2156)pyrido(23d)pyrimidin6ylpropanoate
13dimethyl5(3nitrophenyl)24dioxo2345tetrahydro1Hindeno(2156)pyrido(23d)pyrimidin6ylpropionate
371957210
CCC(=O)OC1=C2C(=Nc3c(C2c2cccc(c2)(N+)(=O)(O))c(=O)n(c(=O)n3C)C)c2c1cccc2
CCC(=O)OC1=C2C(C3=C(N=C2C4=CC=CC=C41)N(C(=O)N(C3=O)C)C)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC25H20N4O6c1417(30)35221611651015(16)2119(22)18(1387914(1213)29(33)34)2023(2621)27(2)25(32)28(3)24(20)31h51218H4H213H3
MFCD01795925
STK054412
ZINC000009236737
ZINC000013757090
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