Vitas-M small molecule compound
methyl 7-methyl-2-(methylsulfanyl)-5-(4-nitrophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980885
SMILES COC(=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 C17H16N4O5S MW 388.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O5S/c1-8-11(16(23)26-2)12(9-4-6-10(7-5-9)21(24)25)13-14(18-8)19-17(27-3)20-15(13)22/h4-7,12H,1-3H3,(H2,18,19,20,22)InChIKey
MWUWJQOMKNEOJX-UHFFFAOYSA-NSynonyms
537045-46-8537045468
CC1=C(C(C2=C(N1)NC(=NC2=O)SC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)(nH)c(n2)SC
InChI=1SC17H16N4O5Sc1811(16(23)262)12(94610(759)21(24)25)1314(188)1917(273)2015(13)22h4712H13H3(H218192022)
methyl7methyl2(methylsulfanyl)5(4nitrophenyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL7METHYL2METHYLSULFANYL5(4NITROPHENYL)4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD04457412
ZINC000100821666
ZINC000100821668
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