Vitas-M small molecule compound
3-(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)phenyl benzoate
Catalog ID
STK217829
SMILES O=C(c1ccccc1)Oc1cccc(c1)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 C28H19N3O5 MW 477.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O5/c1-31-25-22(26(33)30-28(31)35)20(21-23(29-25)18-12-5-6-13-19(18)24(21)32)16-10-7-11-17(14-16)36-27(34)15-8-3-2-4-9-15/h2-14,20,29H,1H3,(H,30,33,35)InChIKey
YDRCJYCRNPHAND-UHFFFAOYSA-NSynonyms
3(1methyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenylbenzoate
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)NC1=O
InChI=1SC28H19N3O5c1312522(26(33)3028(31)35)20(2123(2925)1812561319(18)24(21)32)161071117(1416)3627(34)158324915h2142029H1H3(H303335)
MFCD07181027
O=C(c1ccccc1)Oc1cccc(c1)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3C)c1c(C2=O)cccc1
ZINC000003646534
ZINC000003646537
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