Vitas-M small molecule compound
4-ethylphenyl 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)propanoate (non-preferred name)
Catalog ID
STK286483
SMILES CCc1ccc(cc1)OC(=O)CCN1C(=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 C29H25NO4 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO4/c1-2-17-11-13-18(14-12-17)34-23(31)15-16-30-28(32)26-24-19-7-3-4-8-20(19)25(27(26)29(30)33)22-10-6-5-9-21(22)24/h3-14,24-27H,2,15-16H2,1H3InChIKey
OMPZAARXKLPHCU-UHFFFAOYSA-NSynonyms
4ethylphenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoate(nonpreferredname)
CCC1=CC=C(C=C1)OC(=O)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC29H25NO4c1217111318(141217)3423(31)15163028(32)262419734820(19)25(27(26)29(30)33)221065921(22)24h3142427H21516H21H3
MFCD03577004
ZINC000001124491
ZINC000017837559
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