Vitas-M small molecule compound

cyclopentyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK002039
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-14-21(24(28)30-17-6-3-4-7-17)22(23-19(25-14)8-5-9-20(23)27)16-10-12-18(13-11-16)29-15(2)26/h10-13,17,22,25H,3-9H2,1-2H3
InChIKey
XTACSKBIFINGHA-UHFFFAOYSA-N
Synonyms

CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(=O)C)C(=O)OC4CCCC4
cyclopentyl4(4(acetyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H27NO5c11421(24(28)3017634717)22(2319(2514)85920(23)27)16101218(131116)2915(2)26h1013172225H39H212H3
MFCD00752946
STK002039
ZINC000019535427
ZINC000019535429

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Available files

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