Vitas-M small molecule compound
2-phenylethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK100550
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OCCc1ccccc1)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 C32H27Cl2NO5 MW 576.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27Cl2NO5/c1-18-29(32(37)38-12-11-19-5-3-2-4-6-19)30(23-15-27-28(16-24(23)34)40-17-39-27)31-25(35-18)13-21(14-26(31)36)20-7-9-22(33)10-8-20/h2-10,15-16,21,30,35H,11-14,17H2,1H3InChIKey
SVCBOIXULVRIHT-UHFFFAOYSA-NSynonyms
2phenylethyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(6chloro13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCCC6=CC=CC=C6
InChI=1SC32H27Cl2NO5c11829(32(37)381211195324619)30(23152728(1624(23)34)40173927)3125(3518)1321(1426(31)36)207922(33)10820h2101516213035H111417H21H3
MFCD01823659
ZINC000002758313
ZINC000002758316
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