Vitas-M small molecule compound

cycloheptyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402916
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1

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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 C28H37NO5 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO5/c1-17-23(27(31)34-18-11-8-6-7-9-12-18)24(19-13-10-14-22(32-4)26(19)33-5)25-20(29-17)15-28(2,3)16-21(25)30/h10,13-14,18,24,29H,6-9,11-12,15-16H2,1-5H3
InChIKey
SKBFPYZAYIXBGO-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)OC4CCCCCC4
cycloheptyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H37NO5c11723(27(31)34181186791218)24(1913101422(324)26(19)335)2520(2917)1528(23)1621(25)30h101314182429H6911121516H215H3
MFCD03370948
ZINC000001074567
ZINC000001074577

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Available files

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