Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylamino)-N'-[(E)-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}methylidene]acetohydrazide (non-preferred name)
Catalog ID
STL369920
SMILES COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc(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 C24H22BrN3O5 MW 512.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O5/c1-30-22-10-17(4-8-20(22)31-14-16-2-5-18(25)6-3-16)12-27-28-24(29)13-26-19-7-9-21-23(11-19)33-15-32-21/h2-12,26H,13-15H2,1H3,(H,28,29)/b27-12+InChIKey
HCHSOGHWNPNCEO-KKMKTNMSSA-NSynonyms
2(13benzodioxol5ylamino)N((E)(4((4bromobenzyl)oxy)3methoxyphenyl)methylidene)acetohydrazide(nonpreferredname)
2(13benzodioxol5ylamino)N((E)(4((4bromophenyl)methoxy)3methoxyphenyl)methylideneamino)acetamide
COC1=C(C=CC(=C1)C=NNC(=O)CNC2=CC3=C(C=C2)OCO3)OCC4=CC=C(C=C4)Br
COc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc(cc1)Br
InChI=1SC24H22BrN3O5c130221017(4820(22)3114162518(25)6316)12272824(29)132619792123(1119)33153221h21226H1315H21H3(H2829)b2712+
MFCD02941866
ZINC000001091578
ZINC33304276
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