Vitas-M small molecule compound
N-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (non-preferred name)
Catalog ID
STK709087
SMILES O=C(CNC(=O)C1COc2c(O1)cccc2)N/N=C/c1ccc(cc1)Br
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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 C18H16BrN3O4 MW 418.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O4/c19-13-7-5-12(6-8-13)9-21-22-17(23)10-20-18(24)16-11-25-14-3-1-2-4-15(14)26-16/h1-9,16H,10-11H2,(H,20,24)(H,22,23)/b21-9+InChIKey
SACWATKKXWFFMN-ZVBGSRNCSA-NSynonyms
(Z)N(2(2(4bromobenzylidene)hydrazinyl)2oxoethyl)23dihydrobenzo(b)(14)dioxine2carboxamide
C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=CC=C(C=C3)Br
InChI=1SC18H16BrN3O4c19137512(6813)9212217(23)102018(24)16112514312415(14)2616h1916H1011H2(H2024)(H2223)b219+
MFCD01011054
N(2((2E)2((4bromophenyl)methylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine3carboxamide
N(2((2E)2(4bromobenzylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine2carboxamide(nonpreferredname)
O=C(CNC(=O)C1COc2c(O1)cccc2)NN=Cc1ccc(cc1)Br
ZINC000002338692
ZINC000002338695
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