Vitas-M small molecule compound
2-phenylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045050
SMILES Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
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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 C31H27BrClNO3 MW 576.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrClNO3/c1-19-28(31(36)37-15-14-20-6-3-2-4-7-20)29(22-8-5-9-24(32)16-22)30-26(34-19)17-23(18-27(30)35)21-10-12-25(33)13-11-21/h2-13,16,23,29,34H,14-15,17-18H2,1H3InChIKey
SJHXCFXLHWTTSX-UHFFFAOYSA-NSynonyms
2phenylethyl4(3bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H27BrClNO3c11928(31(36)371514206324720)29(2285924(32)1622)3026(3419)1723(1827(30)35)21101225(33)131121h21316232934H14151718H21H3
MFCD01471048
STK045050
ZINC000100562384
ZINC000100562393
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