Vitas-M small molecule compound

(2E,2'E)-N,N'-(benzene-1,4-diyldimethanediyl)bis[3-(1,3-benzodioxol-5-yl)prop-2-enamide]

Catalog ID
STK439422
SMILES O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(cc1)CNC(=O)/C=C/c1ccc2c(c1)OCO2

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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 C28H24N2O6 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6/c31-27(11-7-19-5-9-23-25(13-19)35-17-33-23)29-15-21-1-2-22(4-3-21)16-30-28(32)12-8-20-6-10-24-26(14-20)36-18-34-24/h1-14H,15-18H2,(H,29,31)(H,30,32)/b11-7+,12-8+
InChIKey
VGFYHXUCYQXOFV-MKICQXMISA-N
Synonyms

(2E)N((4(((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)METHYL)PHENYL)METHYL)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENAMIDE
(2E2E)NN(benzene14diyldimethanediyl)bis(3(13benzodioxol5yl)prop2enamide)
(E)3(13BENZODIOXOL5YL)N((4((((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)METHYL)PHENYL)METHYL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)CNC(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC28H24N2O6c3127(11719592325(1319)35173323)2915211222(4321)163028(32)128206102426(1420)36183424h114H1518H2(H2931)(H3032)b117+128+
MFCD03401042
O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccc(cc1)CNC(=O)C=Cc1ccc2c(c1)OCO2
ZINC000000671474
ZINC00671474
ZINC671474

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Available files

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