Vitas-M small molecule compound
methyl 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
STK060638
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C25H23BrClNO5 MW 532.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClNO5/c1-12-21(25(31)33-3)22(15-8-17(26)24(30)20(11-15)32-2)23-18(28-12)9-14(10-19(23)29)13-4-6-16(27)7-5-13/h4-8,11,14,22,28,30H,9-10H2,1-3H3InChIKey
XZBTYVFFSUNBPD-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
COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC25H23BrClNO5c11221(25(31)333)22(15817(26)24(30)20(1115)322)2318(2812)914(1019(23)29)134616(27)7513h481114222830H910H213H3
methyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01572226
STK060638
ZINC000000708170
ZINC000000708173
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