Vitas-M small molecule compound

6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404501
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)OC)OC)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 C26H33NO8 MW 487.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO8/c1-12(2)35-26(30)20-14(4)27-16-9-13(3)19(25(29)34-8)23(28)22(16)21(20)15-10-17(31-5)24(33-7)18(11-15)32-6/h10-13,19,21,27H,9H2,1-8H3
InChIKey
CTIRFMRWNXVNFA-UHFFFAOYSA-N
Synonyms

6methyl3propan2yl27dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl27dimethyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C1C(=O)OC
InChI=1SC26H33NO8c112(2)3526(30)2014(4)2716913(3)19(25(29)348)23(28)22(16)21(20)151017(315)24(337)18(1115)326h1013192127H9H218H3
MFCD04226253
ZINC000020569482
ZINC000239287423

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Available files

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