Vitas-M small molecule compound
3-(1,3-dimethyl-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
STK217828
SMILES O=C(c1ccccc1)Oc1cccc(c1)C1C2=C(Nc3c1c(=O)n(c(=O)n3C)C)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 C29H21N3O5 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O5/c1-31-26-23(27(34)32(2)29(31)36)21(22-24(30-26)19-13-6-7-14-20(19)25(22)33)17-11-8-12-18(15-17)37-28(35)16-9-4-3-5-10-16/h3-15,21,30H,1-2H3InChIKey
NCIFNPSNKKZCNT-UHFFFAOYSA-NSynonyms
3(13dimethyl246trioxo2345611hexahydro1Hindeno(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)N(C1=O)C
InChI=1SC29H21N3O5c1312623(27(34)32(2)29(31)36)21(2224(3026)1913671420(19)25(22)33)171181218(1517)3728(35)1694351016h3152130H12H3
MFCD07181026
ZINC000003646530
ZINC000003646532
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