Vitas-M small molecule compound

3-cyclopentyl 6-methyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404472
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)OC)O)C(=C(N2)C)C(=O)OC1CCCC1

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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 C27H33NO8 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO8/c1-13-10-17-23(25(30)20(13)26(31)35-5)22(15-11-18(33-3)24(29)19(12-15)34-4)21(14(2)28-17)27(32)36-16-8-6-7-9-16/h11-13,16,20,22,28-29H,6-10H2,1-5H3
InChIKey
WAKDZFYFKWNUJD-UHFFFAOYSA-N
Synonyms

3cyclopentyl6methyl4(4hydroxy35dimethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(4hydroxy35dimethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC(=C(C(=C4)OC)O)OC)C(=O)C1C(=O)OC
InChI=1SC27H33NO8c113101723(25(30)20(13)26(31)355)22(151118(333)24(29)19(1215)344)21(14(2)2817)27(32)3616867916h11131620222829H610H215H3
MFCD04220389
ZINC000020363253
ZINC000239235464

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Available files

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