Vitas-M small molecule compound
4-(4-bromo-2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK406171
SMILES COc1cc(Br)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cc1)F)OC
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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 C27H28BrFN2O4 MW 543.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrFN2O4/c1-14-23(26(33)31-16-8-6-15(29)7-9-16)24(17-10-22(35-5)18(28)11-21(17)34-4)25-19(30-14)12-27(2,3)13-20(25)32/h6-11,24,30H,12-13H2,1-5H3,(H,31,33)InChIKey
UXFDOKAGLQNWSR-UHFFFAOYSA-NSynonyms
4(4bromo25dimethoxyphenyl)N(4fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
4(4bromo25dimethoxyphenyl)N(4fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3OC)Br)OC)C(=O)NC4=CC=C(C=C4)F
InChI=1SC27H28BrFN2O4c11423(26(33)31168615(29)7916)24(171022(355)18(28)1121(17)344)2519(3014)1227(23)1320(25)32h6112430H1213H215H3(H3133)
MFCD05986893
ZINC000001129976
ZINC000001129980
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