Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK513849
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cc2OCOc2cc1Br
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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 C25H18BrN3O6 MW 536.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O6/c26-18-11-23-22(34-14-35-23)10-17(18)12-27-29-25(31)19(28-24(30)16-4-2-1-3-5-16)8-15-6-7-20-21(9-15)33-13-32-20/h1-12H,13-14H2,(H,28,30)(H,29,31)/b19-8+,27-12+InChIKey
KYUFZFMYDZZAKV-VPMTWEOLSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC4=C(C=C3Br)OCO4)NC(=O)C5=CC=CC=C5
InChI=1SC25H18BrN3O6c2618112322(34143523)1017(18)12272925(31)19(2824(30)164213516)815672021(915)33133220h112H1314H2(H2830)(H2931)b198+2712+
MFCD13370495
N((1E)1(13benzodioxol5yl)3((2E)2((6bromo13benzodioxol5yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((6bromo13benzodioxol5yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1cc2OCOc2cc1Br
ZINC000003086949
ZINC102275903
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