Vitas-M small molecule compound
6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404996
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)Oc1ccccc1)C(=C(N2)C)C(=O)OC(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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-16(2)35-29(33)24-18(4)30-22-14-17(3)23(28(32)34-5)27(31)26(22)25(24)19-10-9-13-21(15-19)36-20-11-7-6-8-12-20/h6-13,15-17,23,25,30H,14H2,1-5H3InChIKey
PITWDGFWPAQRPW-UHFFFAOYSA-NSynonyms
6methyl3propan2yl27dimethyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl27dimethyl5oxo4(3phenoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C1C(=O)OC
InChI=1SC29H31NO6c116(2)3529(33)2418(4)30221417(3)23(28(32)345)27(31)26(22)25(24)191091321(1519)3620117681220h6131517232530H14H215H3
MFCD05998851
ZINC000012320250
ZINC000239174134
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