Vitas-M small molecule compound
4-[5,5-dimethyl-3-oxo-2-(trifluoromethyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-yl]-2,6-dimethylphenyl 4-fluorobenzoate
Catalog ID
STK681922
SMILES Fc1ccc(cc1)C(=O)Oc1c(C)cc(cc1C)C1(C=C2N(C1=O)C(C)(C)Cc1c2cccc1)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 C30H25F4NO3 MW 523.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25F4NO3/c1-17-13-21(14-18(2)25(17)38-26(36)19-9-11-22(31)12-10-19)29(30(32,33)34)16-24-23-8-6-5-7-20(23)15-28(3,4)35(24)27(29)37/h5-14,16H,15H2,1-4H3InChIKey
VIXSDQISGSSWRH-UHFFFAOYSA-NSynonyms
(4(55DIMETHYL3OXO2(TRIFLUOROMETHYL)6HPYRROLO(21A)ISOQUINOLIN2YL)26DIMETHYLPHENYL)4FLUOROBENZOATE
4(55dimethyl3oxo2(trifluoromethyl)2356tetrahydropyrrolo(21a)isoquinolin2yl)26dimethylphenyl4fluorobenzoate
CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)F)C)C3(C=C4C5=CC=CC=C5CC(N4C3=O)(C)C)C(F)(F)F
InChI=1SC30H25F4NO3c1171321(1418(2)25(17)3826(36)1991122(31)121019)29(30(3233)34)162423865720(23)1528(34)35(24)27(29)37h51416H15H214H3
MFCD03820649
ZINC000008869785
ZINC000008869787
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