Vitas-M small molecule compound

benzyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK094113
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C)OCc1ccccc1

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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 C26H25F2NO3 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F2NO3/c1-15-22(25(31)32-14-16-7-5-4-6-8-16)23(17-9-10-18(27)19(28)11-17)24-20(29-15)12-26(2,3)13-21(24)30/h4-11,23,29H,12-14H2,1-3H3
InChIKey
HVUWVUHNSBZCNF-UHFFFAOYSA-N
Synonyms

benzyl4(34difluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(34difluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)F)F)C(=O)OCC4=CC=CC=C4
InChI=1SC26H25F2NO3c11522(25(31)3214167546816)23(1791018(27)19(28)1117)2420(2915)1226(23)1321(24)30h4112329H1214H213H3
MFCD02187992
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C)OCc1ccccc1
STK094113
ZINC000000716971
ZINC000000716972

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Available files

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