Vitas-M small molecule compound
ethyl 7-methyl-2-(methylsulfanyl)-5-(4-nitrophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980919
SMILES CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)[nH]c(n2)SC
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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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-4-27-17(24)12-9(2)19-15-14(16(23)21-18(20-15)28-3)13(12)10-5-7-11(8-6-10)22(25)26/h5-8,13H,4H2,1-3H3,(H2,19,20,21,23)InChIKey
FEPXGVASYPDMMW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)(nH)c(n2)SC
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N=C(N2)SC)C
ethyl7methyl2(methylsulfanyl)5(4nitrophenyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
ethyl7methyl2methylsulfanyl5(4nitrophenyl)4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
InChI=1SC18H18N4O5Sc142717(24)129(2)191514(16(23)2118(2015)283)13(12)105711(8610)22(25)26h5813H4H213H3(H219202123)
MFCD18181249
ZINC000044973716
ZINC000044973721
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