Vitas-M small molecule compound
cyclohexyl 4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406125
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccco1)OC1CCCCC1
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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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-16-25(28(31)35-19-6-3-2-4-7-19)26(17-9-10-23-24(14-17)34-15-33-23)27-20(29-16)12-18(13-21(27)30)22-8-5-11-32-22/h5,8-11,14,18-19,26,29H,2-4,6-7,12-13,15H2,1H3InChIKey
AUOOXSVONNLMAC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCCC6
cyclohexyl4(13benzodioxol5yl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(13benzodioxol5yl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H29NO6c11625(28(31)35196324719)26(179102324(1417)34153323)2720(2916)1218(1321(27)30)2285113222h58111418192629H2467121315H21H3
MFCD05986888
ZINC000001129928
ZINC000001129939
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