Vitas-M small molecule compound
4-(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
STK336157
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(=O)O)C(=O)c1c3cccc1
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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 C21H13N3O5 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O5/c25-17-12-4-2-1-3-11(12)16-14(17)13(9-5-7-10(8-6-9)20(27)28)15-18(22-16)23-21(29)24-19(15)26/h1-8,13H,(H,27,28)(H3,22,23,24,26,29)InChIKey
RACQDMURHZWMGO-UHFFFAOYSA-NSynonyms
4(246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)benzoicacid
C1=CC=C2C(=C1)C3=C(C2=O)C(C4=C(N3)NC(=O)NC4=O)C5=CC=C(C=C5)C(=O)O
InChI=1SC21H13N3O5c251712421311(12)1614(17)13(95710(869)20(27)28)1518(2216)2321(29)2419(15)26h1813H(H2728)(H32223242629)
MFCD09964539
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(=O)O)C(=O)c1c3cccc1
ZINC000018201186
ZINC000018201187
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