Vitas-M small molecule compound
cycloheptyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK326261
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-16-23(27(31)33-17-9-4-2-3-5-10-17)24(25-20(28-16)12-8-13-21(25)29)19-15-32-22-14-7-6-11-18(22)26(19)30/h6-7,11,14-15,17,24,28H,2-5,8-10,12-13H2,1H3InChIKey
GAPWZHICPGVRHT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5
cycloheptyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
cycloheptyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO5c11623(27(31)3317942351017)24(2520(2816)1281321(25)29)1915322214761118(22)26(19)30h67111415172428H258101213H21H3
MFCD03146669
ZINC000001155930
ZINC000001155931
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