Vitas-M small molecule compound
cyclopentyl 7-[4-(dimethylamino)phenyl]-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406515
SMILES CN(c1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC1CCCC1)C)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 C30H33FN2O3 MW 488.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33FN2O3/c1-18-27(30(35)36-22-8-4-5-9-22)28(23-10-6-7-11-24(23)31)29-25(32-18)16-20(17-26(29)34)19-12-14-21(15-13-19)33(2)3/h6-7,10-15,20,22,28,32H,4-5,8-9,16-17H2,1-3H3InChIKey
BLODEQYSEOQVGQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4F)C(=O)OC5CCCC5
cyclopentyl7(4(dimethylamino)phenyl)4(2fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4(dimethylamino)phenyl)4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H33FN2O3c11827(30(35)3622845922)28(2310671124(23)31)2925(3218)1620(1726(29)34)19121421(151319)33(2)3h67101520222832H45891617H213H3
MFCD06000471
ZINC000001075169
ZINC000001075182
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