Vitas-M small molecule compound
17-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-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
STL387388
SMILES O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)C2C1C1c3ccccc3C2(c2c1cccc2)C
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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 C26H17ClF3NO2 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClF3NO2/c1-25-16-8-4-2-6-14(16)20(15-7-3-5-9-17(15)25)21-22(25)24(33)31(23(21)32)13-10-11-19(27)18(12-13)26(28,29)30/h2-12,20-22H,1H3InChIKey
LXBLHBBDUNCEQL-UHFFFAOYSA-NSynonyms
17(4chloro3(trifluoromethyl)phenyl)1methyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(F)(F)F
InChI=1SC26H17ClF3NO2c12516842614(16)20(15735917(15)25)2122(25)24(33)31(23(21)32)13101119(27)18(1213)26(2829)30h2122022H1H3
MFCD02623598
ZINC000000670018
ZINC000000670024
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