Vitas-M small molecule compound

butan-2-yl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK083555
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1)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 C34H35NO4 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO4/c1-4-22(2)39-34(37)31-23(3)35-28-19-26(25-15-9-6-10-16-25)20-29(36)33(28)32(31)27-17-11-12-18-30(27)38-21-24-13-7-5-8-14-24/h5-18,22,26,32,35H,4,19-21H2,1-3H3
InChIKey
LXMCPZUMZWAMTA-UHFFFAOYSA-N
Synonyms
344957-23-9
344957239
butan2yl2methyl5oxo7phenyl4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
butan2yl4(2(benzyloxy)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC=CC=C5)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1)C
InChI=1SC34H35NO4c1422(2)3934(37)3123(3)35281926(251596101625)2029(36)33(28)32(31)271711121830(27)382124137581424h51822263235H41921H213H3
MFCD01825216
STK083555
ZINC000002758209
ZINC000035982119

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.