Vitas-M small molecule compound
cyclopentyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045878
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccnc1)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)34-22-7-3-4-8-22)26(19-6-5-13-29-16-19)27-23(30-17)14-20(15-24(27)31)18-9-11-21(33-2)12-10-18/h5-6,9-13,16,20,22,26,30H,3-4,7-8,14-15H2,1-2H3InChIKey
GSLWEEQQKSGXEE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)OC5CCCC5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccnc1)C(=O)OC1CCCC1)C
cyclopentyl7(4methoxyphenyl)2methyl5oxo4(pyridin3yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(4methoxyphenyl)2methyl5oxo4pyridin3yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H30N2O4c11725(28(32)3422734822)26(196513291619)2723(3017)1420(1524(27)31)1891121(332)121018h569131620222630H34781415H212H3
MFCD01824308
STK045878
ZINC000019762163
ZINC000019762171
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