Vitas-M small molecule compound

methyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK051887
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C25H22ClNO5 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO5/c1-13-22(25(29)30-2)23(15-5-8-20-21(11-15)32-12-31-20)24-18(27-13)9-16(10-19(24)28)14-3-6-17(26)7-4-14/h3-8,11,16,23,27H,9-10,12H2,1-2H3
InChIKey
QTTISCKOEKCILQ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC25H22ClNO5c11322(25(29)302)23(15582021(1115)32123120)2418(2713)916(1019(24)28)143617(26)7414h3811162327H91012H212H3
methyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01571949
STK051887
ZINC000019830823
ZINC000019830826

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Available files

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