Vitas-M small molecule compound
cyclopentyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403124
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccsc1)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)32-19-7-3-4-8-19)25(17-11-12-33-15-17)26-21(28-16)13-18(14-22(26)29)20-9-5-6-10-23(20)31-2/h5-6,9-12,15,18-19,25,28H,3-4,7-8,13-14H2,1-2H3InChIKey
ZNCPFHINWXHHQM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CSC=C4)C(=O)OC5CCCC5
cyclopentyl7(2methoxyphenyl)2methyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(2methoxyphenyl)2methyl5oxo4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO4Sc11624(27(30)3219734819)25(171112331517)2621(2816)1318(1422(26)29)209561023(20)312h569121518192528H34781314H212H3
MFCD03146791
ZINC000000781670
ZINC000000781673
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