Vitas-M small molecule compound
ethyl 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
STK727441
SMILES CCOC(=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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-2-32-27(31)15-8-7-9-16(14-15)28-25(29)23-21-17-10-3-4-11-18(17)22(24(23)26(28)30)20-13-6-5-12-19(20)21/h3-14,21-24H,2H2,1H3InChIKey
ZFYYLDAXIQZQPT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
ethyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC27H21NO4c123227(31)1587916(1415)2825(29)23211710341118(17)22(24(23)26(28)30)2013651219(20)21h3142124H2H21H3
MFCD01240868
ZINC000000715219
ZINC000012411161
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