Vitas-M small molecule compound
cyclopentyl 4-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406118
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)C(=O)OC1CCCC1
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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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-16-25(28(31)35-19-7-4-5-8-19)26(17-10-11-23(32-2)24(15-17)33-3)27-20(29-16)13-18(14-21(27)30)22-9-6-12-34-22/h6,9-12,15,18-19,26,29H,4-5,7-8,13-14H2,1-3H3InChIKey
IHFOVAJPOOAMHO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCC5
cyclopentyl4(34dimethoxyphenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(34dimethoxyphenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO6c11625(28(31)3519745819)26(17101123(322)24(1517)333)2720(2916)1318(1421(27)30)2296123422h69121518192629H45781314H213H3
MFCD05986884
ZINC000001129892
ZINC000001129902
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