Vitas-M small molecule compound

2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK070977
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)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 C29H31BrClNO5 MW 588.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrClNO5/c1-5-36-24-13-19(10-21(30)28(24)34)26-25(29(35)37-14-15(2)3)16(4)32-22-11-18(12-23(33)27(22)26)17-6-8-20(31)9-7-17/h6-10,13,15,18,26,32,34H,5,11-12,14H2,1-4H3
InChIKey
LQNXCHSXPRFQIS-UHFFFAOYSA-N
Synonyms

2methylpropyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C)Br)O
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)C
InChI=1SC29H31BrClNO5c1536241319(1021(30)28(24)34)2625(29(35)371415(2)3)16(4)32221118(1223(33)27(22)26)176820(31)9717h610131518263234H5111214H214H3
MFCD01471041
STK070977
ZINC000100562441
ZINC000100562445

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Available files

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