Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N'-{(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}acetohydrazide
Catalog ID
STL387734
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)Cc1ccc2c(c1)OCO2
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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 C21H17N3O7 MW 423.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O7/c1-28-14-3-5-16(17(10-14)24(26)27)18-7-4-15(31-18)11-22-23-21(25)9-13-2-6-19-20(8-13)30-12-29-19/h2-8,10-11H,9,12H2,1H3,(H,23,25)/b22-11+InChIKey
UPIBTJXZVJTKFZ-SSDVNMTOSA-NSynonyms
2(13benzodioxol5yl)N((E)(5(4methoxy2nitrophenyl)furan2yl)methylidene)acetohydrazide
2(13benzodioxol5yl)N((E)(5(4methoxy2nitrophenyl)furan2yl)methylideneamino)acetamide
COC1=CC(=C(C=C1)C2=CC=C(O2)C=NNC(=O)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=NNC(=O)Cc1ccc2c(c1)OCO2
InChI=1SC21H17N3O7c128143516(17(1014)24(26)27)187415(3118)11222321(25)913261920(813)30122919h281011H912H21H3(H2325)b2211+
MFCD06669593
ZINC000001106806
ZINC33306004
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