Vitas-M small molecule compound

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

Catalog ID
STK059762
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)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 C26H26ClNO5 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO5/c1-4-33-22-13-16(7-10-20(22)29)24-23(26(31)32-3)14(2)28-19-11-17(12-21(30)25(19)24)15-5-8-18(27)9-6-15/h5-10,13,17,24,28-29H,4,11-12H2,1-3H3
InChIKey
BCQQJXXGBPCTBW-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC)C)O
CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC)C
InChI=1SC26H26ClNO5c1433221316(71020(22)29)2423(26(31)323)14(2)28191117(1221(30)25(19)24)155818(27)9615h5101317242829H41112H213H3
methyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01656005
STK059762
ZINC000008854614
ZINC000008854620

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Available files

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