Vitas-M small molecule compound
(2E,2'E)-4,4'-[methanediylbis(cyclohexane-4,1-diylimino)]bis(4-oxobut-2-enoic acid)
Catalog ID
STK453438
SMILES O=C(NC1CCC(CC1)CC1CCC(CC1)NC(=O)/C=C/C(=O)O)/C=C/C(=O)O
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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 C21H30N2O6 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O6/c24-18(9-11-20(26)27)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21(28)29/h9-12,14-17H,1-8,13H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/b11-9+,12-10+InChIKey
BLTIEBKCXGOZGJ-WGDLNXRISA-NSynonyms
(2E)3(N(4((4((2E)3CARBOXYPROP2ENOYLAMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)CARBAMOYL)PROP2ENOICACID
(2E2E)44(methanediylbis(cyclohexane41diylimino))bis(4oxobut2enoicacid)
(E)4((4((4(((E)3carboxyprop2enoyl)amino)cyclohexyl)methyl)cyclohexyl)amino)4oxobut2enoicacid
(E)4((4((4(((E)4HYDROXY4OXOBUT2ENOYL)AMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)AMINO)4OXOBUT2ENOICACID
4((4((4((3CARBOXYACRYLOYL)AMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)AMINO)4OXO2BUTENOICACID
C1CC(CCC1CC2CCC(CC2)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O
InChI=1SC21H30N2O6c2418(91120(26)27)22165114(2616)13153717(8415)2319(25)101221(28)29h9121417H1813H2(H2224)(H2325)(H2627)(H2829)b119+1210+
MFCD03759246
O=C(NC1CCC(CC1)CC1CCC(CC1)NC(=O)C=CC(=O)O)C=CC(=O)O
ZINC000013108783
ZINC13108783
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.