Vitas-M small molecule compound
cycloheptyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090132
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-15-22(25(28)31-17-7-4-2-3-5-8-17)23(24-18(26-15)9-6-10-19(24)27)16-11-12-20-21(13-16)30-14-29-20/h11-13,17,23,26H,2-10,14H2,1H3InChIKey
YSSHNMKQAZZMOK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCCC5
cycloheptyl4(13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H29NO5c11522(25(28)311774235817)23(2418(2615)961019(24)27)1611122021(1316)30142920h1113172326H21014H21H3
MFCD01823530
O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)OC1CCCCCC1
STK090132
ZINC000019790714
ZINC000019790715
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