Vitas-M small molecule compound
dimethyl (3E,3'E)-3,3'-{hexane-1,6-diylbis[imino(1E)but-1-yl-1-ylidene]}bis(6,6-dimethyl-2,4-dioxocyclohexanecarboxylate)
Catalog ID
STL564055
SMILES CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCCCCCCN/C(=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C)/CCC
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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 C34H52N2O8 MW 616.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H52N2O8/c1-9-15-21(25-23(37)19-33(3,4)27(29(25)39)31(41)43-7)35-17-13-11-12-14-18-36-22(16-10-2)26-24(38)20-34(5,6)28(30(26)40)32(42)44-8/h27-28,35-36H,9-20H2,1-8H3/b25-21+,26-22+InChIKey
PWFBLBMQVMTSOV-CDTUYSNOSA-NSynonyms
(5E5E)dimethyl55((hexane16diylbis(azanediyl))bis(butan1yl1ylidene))bis(22dimethyl46dioxocyclohexanecarboxylate)CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NCCCCCCNC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)CCC
dimethyl(3E3E)33(hexane16diylbis(imino(1E)but1yl1ylidene))bis(66dimethyl24dioxocyclohexanecarboxylate)
Registry IDs
ZINC000101285623ZINC000101285633
Check stock
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Check stock on Vitas-MAvailable files
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