Vitas-M small molecule compound
2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK075757
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)OC
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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 C28H29NO7 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO7/c1-16-25(28(31)34-11-10-32-2)26(18-6-9-23-24(14-18)36-15-35-23)27-21(29-16)12-19(13-22(27)30)17-4-7-20(33-3)8-5-17/h4-9,14,19,26,29H,10-13,15H2,1-3H3InChIKey
YGKLFQGNMZGNPV-UHFFFAOYSA-NSynonyms
2methoxyethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC28H29NO7c11625(28(31)341110322)26(18692324(1418)36153523)2721(2916)1219(1322(27)30)174720(333)8517h4914192629H101315H213H3
MFCD01445759
STK075757
ZINC000002923291
ZINC000002923305
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