Vitas-M small molecule compound
dimethyl (3E,3'E)-3,3'-{propane-1,2-diylbis[imino(1E)but-1-yl-1-ylidene]}bis(2-hydroxy-6,6-dimethyl-4-oxocyclohex-1-ene-1-carboxylate)
Catalog ID
STL562839
SMILES CCC/C(=C/1\C(=O)CC(C(=C1O)C(=O)OC)(C)C)/NCC(N/C(=C\1/C(=O)CC(C(=C1O)C(=O)OC)(C)C)/CCC)C
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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 C31H46N2O8 MW 574.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46N2O8/c1-10-12-18(22-20(34)14-30(4,5)24(26(22)36)28(38)40-8)32-16-17(3)33-19(13-11-2)23-21(35)15-31(6,7)25(27(23)37)29(39)41-9/h17,32-33,36-37H,10-16H2,1-9H3/b22-18-,23-19-InChIKey
DFYODRCPDKPEOM-RSFSRFMPSA-NSynonyms
54746699
dimethyl(3E3E)33(propane12diylbis(imino(1E)but1yl1ylidene))bis(2hydroxy66dimethyl4oxocyclohex1ene1carboxylate)
InChI=1SC31H46N2O8c1101218(2220(34)1430(45)24(26(22)36)28(38)408)321617(3)3319(13112)2321(35)1531(67)25(27(23)37)29(39)419h1732333637H1016H219H3b22182319
methyl(3E)2hydroxy3(1(2(((1E)1(2hydroxy3methoxycarbonyl44dimethyl6oxocyclohex2en1ylidene)butyl)amino)propylamino)butylidene)66dimethyl4oxocyclohexene1carboxylate
MFCD03815391
ZINC000103324619
ZINC000103324621
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