Vitas-M small molecule compound
2-phenylethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407233
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CC(C2)(C)C)OCCc1ccccc1
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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 C27H27Cl2NO3 MW 484.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO3/c1-16-22(26(32)33-13-12-17-8-5-4-6-9-17)23(18-10-7-11-19(28)25(18)29)24-20(30-16)14-27(2,3)15-21(24)31/h4-11,23,30H,12-15H2,1-3H3InChIKey
MGSLRDNONMZHPV-UHFFFAOYSA-NSynonyms
2phenylethyl4(23dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(23dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)Cl)Cl)C(=O)OCCC4=CC=CC=C4
InChI=1SC27H27Cl2NO3c11622(26(32)331312178546917)23(181071119(28)25(18)29)2420(3016)1427(23)1521(24)31h4112330H1215H213H3
MFCD01193774
ZINC000002063642
ZINC000002063643
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