Vitas-M small molecule compound

(2E,2'E)-4,4'-(cyclohexane-1,2-diyldiimino)bis(4-oxobut-2-enoic acid)

Catalog ID
STK043187
SMILES O=C(NC1CCCCC1NC(=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 C14H18N2O6 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10(9)16-12(18)6-8-14(21)22/h5-10H,1-4H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5+,8-6+
InChIKey
ACOTWFMIADRKKI-KQQUZDAGSA-N
Synonyms
431980-81-3
(2E)3(N(2((2E)3CARBOXYPROP2ENOYLAMINO)CYCLOHEXYL)CARBAMOYL)PROP2ENOICACID
(2E2E)44(CYCLOHEXANE12DIYLDIIMINO)BIS(4OXOBUT2ENOICACID)
(E)4((2(((E)3carboxyprop2enoyl)amino)cyclohexyl)amino)4oxobut2enoicacid
(E)4((2(((E)4HYDROXY4OXOBUT2ENOYL)AMINO)CYCLOHEXYL)AMINO)4OXOBUT2ENOICACID
431980813
C1CCC(C(C1)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O
InChI=1SC14H18N2O6c1711(5713(19)20)159312410(9)1612(18)6814(21)22h510H14H2(H1517)(H1618)(H1920)(H2122)b75+86+
MFCD02819042
O=C(NC1CCCCC1NC(=O)C=CC(=O)O)C=CC(=O)O
STK043187
ZINC000000859421
ZINC000004526154

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Available files

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