Vitas-M small molecule compound
4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)benzoic acid
Catalog ID
STK217756
SMILES OC(=O)c1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3C)c1c(C2=O)cccc1
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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 C22H15N3O5 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O5/c1-25-19-16(20(27)24-22(25)30)14(10-6-8-11(9-7-10)21(28)29)15-17(23-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,23H,1H3,(H,28,29)(H,24,27,30)InChIKey
XLKNPAGEJYZBDW-UHFFFAOYSA-NSynonyms
878990-85-34(1methyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)benzoicacid
878990853
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)O)C(=O)NC1=O
InChI=1SC22H15N3O5c1251916(20(27)2422(25)30)14(106811(9710)21(28)29)1517(2319)12423513(12)18(15)26h291423H1H3(H2829)(H242730)
MFCD07180955
OC(=O)c1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3C)c1c(C2=O)cccc1
ZINC000003646260
ZINC000003646261
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