Vitas-M small molecule compound
1,8-dimethyl-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
STK258011
SMILES O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C1(C)c3c(C2(C)c2c1cccc2)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 C27H20F3NO2 MW 447.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3NO2/c1-25-17-10-3-5-12-19(17)26(2,20-13-6-4-11-18(20)25)22-21(25)23(32)31(24(22)33)16-9-7-8-15(14-16)27(28,29)30/h3-14,21-22H,1-2H3InChIKey
DMIINQQUSNAUCJ-UHFFFAOYSA-NSynonyms
18dimethyl17(3(trifluoromethyl)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC27H20F3NO2c1251710351219(17)26(22013641118(20)25)2221(25)23(32)31(24(22)33)1697815(1416)27(2829)30h3142122H12H3
MFCD02623590
ZINC000001170768
ZINC000015822408
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