Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363735
SMILES COc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(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 C27H27BrClNO5 MW 560.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrClNO5/c1-13(2)35-27(33)23-14(3)30-20-10-16(15-5-7-18(29)8-6-15)11-21(31)25(20)24(23)17-9-19(28)26(32)22(12-17)34-4/h5-9,12-13,16,24,30,32H,10-11H2,1-4H3InChIKey
OSHRVAZBLVYRAC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC(C)C
InChI=1SC27H27BrClNO5c113(2)3527(33)2314(3)30201016(155718(29)8615)1121(31)25(20)24(23)17919(28)26(32)22(1217)344h59121316243032H1011H214H3
MFCD01571938
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000100077307
ZINC000100077314
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