Vitas-M small molecule compound
propyl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000213
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)C(=O)CC(C2)c1ccc(c(c1)OC)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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-5-11-35-28(32)25-16(2)30-21-13-19(17-9-10-23(33-3)24(15-17)34-4)14-22(31)27(21)26(25)18-7-6-8-20(29)12-18/h6-10,12,15,19,26,30H,5,11,13-14H2,1-4H3InChIKey
KEEJRDPLVBUHEM-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC28H30BrNO5c15113528(32)2516(2)30211319(1791023(333)24(1517)344)1422(31)27(21)26(25)1876820(29)1218h6101215192630H5111314H214H3
MFCD02224202
propyl4(3bromophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3bromophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK000213
ZINC000002072859
ZINC000002072862
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