Vitas-M small molecule compound
4-bromo-2-[(E)-(2-{[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]phenyl (2Z)-3-(furan-2-yl)prop-2-enoate (non-preferred name)
Catalog ID
STK526225
SMILES O=C(CNC(=O)C1COc2c(O1)cccc2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1
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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 C25H20BrN3O7 MW 554.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O7/c26-17-7-9-19(36-24(31)10-8-18-4-3-11-33-18)16(12-17)13-28-29-23(30)14-27-25(32)22-15-34-20-5-1-2-6-21(20)35-22/h1-13,22H,14-15H2,(H,27,32)(H,29,30)/b10-8-,28-13+InChIKey
XBAPCGRCXAPLRB-DMLBZTEOSA-NSynonyms
(4bromo2((E)((2(23dihydro14benzodioxine3carbonylamino)acetyl)hydrazinylidene)methyl)phenyl)(Z)3(furan2yl)prop2enoate
(E)4bromo2((E)(2(2(23dihydrobenzo(b)(14)dioxine2carboxamido)acetyl)hydrazono)methyl)phenyl3(furan2yl)acrylate
4bromo2((E)(2(((23dihydro14benzodioxin2ylcarbonyl)amino)acetyl)hydrazinylidene)methyl)phenyl(2Z)3(furan2yl)prop2enoate(nonpreferredname)
C1C(OC2=CC=CC=C2O1)C(=O)NCC(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C=CC4=CC=CO4
InChI=1SC25H20BrN3O7c26177919(3624(31)1081843113318)16(1217)13282923(30)142725(32)22153420512621(20)3522h11322H1415H2(H2732)(H2930)b1082813+
MFCD01948165
O=C(CNC(=O)C1COc2c(O1)cccc2)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1
ZINC000097966328
ZINC000097966329
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