Vitas-M small molecule compound
N'-[(2E,3E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Catalog ID
STK869980
SMILES O=C(C1COc2c(O1)cccc2)N/N=C(/C=C/c1ccc2c(c1)OCO2)\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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-13(6-7-14-8-9-16-18(10-14)26-12-25-16)21-22-20(23)19-11-24-15-4-2-3-5-17(15)27-19/h2-10,19H,11-12H2,1H3,(H,22,23)/b7-6+,21-13+InChIKey
PFQKZUJMDVQXRX-XKVYGDKHSA-NSynonyms
(Z)N((E)4(benzo(d)(13)dioxol5yl)but3en2ylidene)23dihydrobenzo(b)(14)dioxine2carbohydrazide
CC(=NNC(=O)C1COC2=CC=CC=C2O1)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC20H18N2O5c113(6714891618(1014)26122516)212220(23)19112415423517(15)2719h21019H1112H21H3(H2223)b76+2113+
MFCD00578967
N((2E3E)4(13benzodioxol5yl)but3en2ylidene)23dihydro14benzodioxine2carbohydrazide
N((E)((E)4(13benzodioxol5yl)but3en2ylidene)amino)23dihydro14benzodioxine3carboxamide
O=C(C1COc2c(O1)cccc2)NN=C(C=Cc1ccc2c(c1)OCO2)C
ZINC000012343104
ZINC000012343105
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