Vitas-M small molecule compound
3-cycloheptyl 6-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404478
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc3c(c1)OCO3)C(=C(N2)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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-15-12-19-25(26(30)22(15)27(31)33-3)24(17-10-11-20-21(13-17)35-14-34-20)23(16(2)29-19)28(32)36-18-8-6-4-5-7-9-18/h10-11,13,15,18,22,24,29H,4-9,12,14H2,1-3H3InChIKey
SWPLXVNHYBUZQW-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl4(13benzodioxol5yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl4(13benzodioxol5yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C1C(=O)OC
InChI=1SC28H33NO7c115121925(26(30)22(15)27(31)333)24(1710112021(1317)35143420)23(16(2)2919)28(32)361886457918h1011131518222429H491214H213H3
MFCD04220243
ZINC000001460092
ZINC000239412578
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