Vitas-M small molecule compound

cyclopentyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK326247
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccncc1)C(=O)OC1CCCC1)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 C28H30N2O4 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4/c1-17-25(28(32)34-22-5-3-4-6-22)26(19-11-13-29-14-12-19)27-23(30-17)15-20(16-24(27)31)18-7-9-21(33-2)10-8-18/h7-14,20,22,26,30H,3-6,15-16H2,1-2H3
InChIKey
TZXKIMBFKRHZNY-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OC5CCCC5
cyclopentyl7(4methoxyphenyl)2methyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(4methoxyphenyl)2methyl5oxo4pyridin4yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H30N2O4c11725(28(32)3422534622)26(19111329141219)2723(3017)1520(1624(27)31)187921(332)10818h71420222630H361516H212H3
MFCD01824400
ZINC000001202131
ZINC000001202146

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Available files

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