Vitas-M small molecule compound
N-(2-{(2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide (non-preferred name)
Catalog ID
STK526070
SMILES O=C(CNC(=O)C1COc2c(O1)cccc2)N/N=C/c1cc(Br)ccc1OCc1ccccc1
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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 C25H22BrN3O5 MW 524.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O5/c26-19-10-11-20(32-15-17-6-2-1-3-7-17)18(12-19)13-28-29-24(30)14-27-25(31)23-16-33-21-8-4-5-9-22(21)34-23/h1-13,23H,14-16H2,(H,27,31)(H,29,30)/b28-13+InChIKey
TVTMBXUKLIHUCY-XODNFHPESA-NSynonyms
372505-70-9(E)N(2(2(2(benzyloxy)5bromobenzylidene)hydrazinyl)2oxoethyl)23dihydrobenzo(b)(14)dioxine2carboxamide
372505709
C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4
InChI=1SC25H22BrN3O5c2619101120(3215176213717)18(1219)13282924(30)142725(31)23163321845922(21)3423h11323H1416H2(H2731)(H2930)b2813+
MFCD01944451
N(2((2E)2((5bromo2phenylmethoxyphenyl)methylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine3carboxamide
N(2((2E)2(2(benzyloxy)5bromobenzylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine2carboxamide(nonpreferredname)
O=C(CNC(=O)C1COc2c(O1)cccc2)NN=Cc1cc(Br)ccc1OCc1ccccc1
ZINC000002277818
ZINC000002277820
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