Vitas-M small molecule compound

ethyl 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK674027
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CC(C2)(C)C)c1ccccc1C(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 C25H24BrF3N2O3S MW 569.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrF3N2O3S/c1-4-34-23(33)21-20(17-9-10-18(26)35-17)19-15(11-24(2,3)12-16(19)32)31(22(21)30)14-8-6-5-7-13(14)25(27,28)29/h5-10,20H,4,11-12,30H2,1-3H3
InChIKey
JNMJVSIKIYLBBM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CC(C2)(C)C)C4=CC=CC=C4C(F)(F)F)N
ethyl2amino4(5bromothiophen2yl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(5BROMOTHIOPHEN2YL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC25H24BrF3N2O3Sc143423(33)2120(1791018(26)3517)1915(1124(23)1216(19)32)31(22(21)30)14865713(14)25(2728)29h51020H4111230H213H3
MFCD01240573
ZINC000002188625
ZINC000002188626

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Available files

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