Vitas-M small molecule compound
methyl 3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK257465
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C26H19NO4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO4/c1-31-26(30)14-7-6-8-15(13-14)27-24(28)22-20-16-9-2-3-10-17(16)21(23(22)25(27)29)19-12-5-4-11-18(19)20/h2-13,20-23H,1H3InChIKey
MXEOVNCHYBDDMP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC26H19NO4c13126(30)1476815(1314)2724(28)2220169231017(16)21(23(22)25(27)29)1912541118(19)20h2132023H1H3
methyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD00331304
ZINC000000991359
ZINC000012417852
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