Vitas-M small molecule compound
methyl 4-(2-bromo-4,5-dimethoxyphenyl)-7-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406516
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)c1ccc(cc1)N(C)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 C28H31BrN2O5 MW 555.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31BrN2O5/c1-15-25(28(33)36-6)26(19-13-23(34-4)24(35-5)14-20(19)29)27-21(30-15)11-17(12-22(27)32)16-7-9-18(10-8-16)31(2)3/h7-10,13-14,17,26,30H,11-12H2,1-6H3InChIKey
KNOBFZGFXJONAZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC(=C(C=C4Br)OC)OC)C(=O)OC
InChI=1SC28H31BrN2O5c11525(28(33)366)26(191323(344)24(355)1420(19)29)2721(3015)1117(1222(27)32)167918(10816)31(2)3h7101314172630H1112H216H3
methyl4(2bromo45dimethoxyphenyl)7(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2bromo45dimethoxyphenyl)7(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06000442
ZINC000001075076
ZINC000001075086
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