Vitas-M small molecule compound
cycloheptyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403030
SMILES COc1ccc(cc1OC)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/c1-17-24(27(31)34-19-10-8-6-7-9-11-19)25(18-12-13-22(32-4)23(14-18)33-5)26-20(29-17)15-28(2,3)16-21(26)30/h12-14,19,25,29H,6-11,15-16H2,1-5H3InChIKey
XOGYEUKTOJXAED-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C(=O)OC4CCCCCC4
cycloheptyl4(34dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(34dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H37NO5c11724(27(31)34191086791119)25(18121322(324)23(1418)335)2620(2917)1528(23)1621(26)30h1214192529H6111516H215H3
MFCD03371042
ZINC000001431255
ZINC000001431256
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