Vitas-M small molecule compound

3-cyclopentyl 6-methyl 4-(3-chlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404661
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)Cl)C(=C(N2)C)C(=O)OC1CCCC1

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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 C25H28ClNO5 MW 457.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClNO5/c1-13-11-18-22(23(28)19(13)24(29)31-3)21(15-7-6-8-16(26)12-15)20(14(2)27-18)25(30)32-17-9-4-5-10-17/h6-8,12-13,17,19,21,27H,4-5,9-11H2,1-3H3
InChIKey
OWICCBYIAMXOGG-UHFFFAOYSA-N
Synonyms

3cyclopentyl6methyl4(3chlorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(3chlorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC(=CC=C4)Cl)C(=O)C1C(=O)OC
InChI=1SC25H28ClNO5c113111822(23(28)19(13)24(29)313)21(1576816(26)1215)20(14(2)2718)25(30)32179451017h68121317192127H45911H213H3
MFCD06193913
ZINC000020569545
ZINC000239173893

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Available files

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