Vitas-M small molecule compound
3-benzyl 6-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404518
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc3c(c1)OCO3)C(=C(N2)C)C(=O)OCc1ccccc1
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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 C28H27NO7 MW 489.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO7/c1-15-11-19-25(26(30)22(15)27(31)33-3)24(18-9-10-20-21(12-18)36-14-35-20)23(16(2)29-19)28(32)34-13-17-7-5-4-6-8-17/h4-10,12,15,22,24,29H,11,13-14H2,1-3H3InChIKey
GMJARVMPYSEEPE-UHFFFAOYSA-NSynonyms
3benzyl6methyl4(13benzodioxol5yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obenzyl6Omethyl4(13benzodioxol5yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)C1C(=O)OC
InChI=1SC28H27NO7c115111925(26(30)22(15)27(31)333)24(189102021(1218)36143520)23(16(2)2919)28(32)3413177546817h4101215222429H111314H213H3
MFCD04220531
ZINC000016347216
ZINC000239306149
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