Vitas-M small molecule compound
1-ethyl-17-[3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STL495753
SMILES CCC12C3C(=O)N(C(=O)C3C(c3c1cccc3)c1c2cccc1)c1cccc(c1)C(F)(F)F
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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 C27H20F3NO2 MW 447.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3NO2/c1-2-26-19-12-5-3-10-17(19)21(18-11-4-6-13-20(18)26)22-23(26)25(33)31(24(22)32)16-9-7-8-15(14-16)27(28,29)30/h3-14,21-23H,2H2,1H3InChIKey
BAPOTDZZQQEVJN-UHFFFAOYSA-NSynonyms
1ethyl17(3(trifluoromethyl)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(F)(F)F
InChI=1SC27H20F3NO2c12261912531017(19)21(1811461320(18)26)2223(26)25(33)31(24(22)32)1697815(1416)27(2829)30h3142123H2H21H3
MFCD01802336
ZINC000001092492
ZINC000001092495
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