Vitas-M small molecule compound
cyclopentyl 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
STK072687
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)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 C30H31BrClNO5 MW 600.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrClNO5/c1-3-37-25-15-19(12-22(31)29(25)35)27-26(30(36)38-21-6-4-5-7-21)16(2)33-23-13-18(14-24(34)28(23)27)17-8-10-20(32)11-9-17/h8-12,15,18,21,27,33,35H,3-7,13-14H2,1-2H3InChIKey
XAVFYYQPVQSXFY-UHFFFAOYSA-NSynonyms
312597-28-7312597287
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCC5)C)Br)O
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H31BrClNO5c1337251519(1222(31)29(25)35)2726(30(36)3821645721)16(2)33231318(1424(34)28(23)27)1781020(32)11917h812151821273335H371314H212H3
MFCD01824435
STK072687
ZINC000100575994
ZINC000100575998
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