Vitas-M small molecule compound
cyclopentyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062778
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)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 C27H29NO4S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4S/c1-16-24(27(30)32-19-8-3-4-9-19)26(23-11-6-12-33-23)25-21(28-16)14-18(15-22(25)29)17-7-5-10-20(13-17)31-2/h5-7,10-13,18-19,26,28H,3-4,8-9,14-15H2,1-2H3InChIKey
GFCAWCOILOJCFU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=CC=C3)OC)C4=CC=CS4)C(=O)OC5CCCC5
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OC1CCCC1)C
cyclopentyl7(3methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(3methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO4Sc11624(27(30)3219834919)26(23116123323)2521(2816)1418(1522(25)29)17751020(1317)312h57101318192628H34891415H212H3
MFCD03489168
STK062778
ZINC000000729667
ZINC000000729670
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