Vitas-M small molecule compound
N'-[(E)-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)phenyl}methylidene]-5-nitro-1-benzofuran-2-carbohydrazide
Catalog ID
STK199188
SMILES C=CCc1cc(/C=N/NC(=O)c2cc3c(o2)ccc(c3)[N+](=O)[O-])cc(c1OCc1ccc(cc1)[N+](=O)[O-])OCC
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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 C28H24N4O8 MW 544.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O8/c1-3-5-20-12-19(13-25(38-4-2)27(20)39-17-18-6-8-22(9-7-18)31(34)35)16-29-30-28(33)26-15-21-14-23(32(36)37)10-11-24(21)40-26/h3,6-16H,1,4-5,17H2,2H3,(H,30,33)/b29-16+InChIKey
IRAVIYWTHZJIHB-MUFRIFMGSA-NSynonyms
C=CCc1cc(C=NNC(=O)c2cc3c(o2)ccc(c3)(N+)(=O)(O))cc(c1OCc1ccc(cc1)(N+)(=O)(O))OCC
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)(N+)(=O)(O)
InChI=1SC28H24N4O8c135201219(1325(3842)27(20)3917186822(9718)31(34)35)16293028(33)2615211423(32(36)37)101124(21)4026h3616H14517H22H3(H3033)b2916+
MFCD06150689
N((E)(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)PHENYL)METHYLIDENE)5NITRO1BENZOFURAN2CARBOHYDRAZIDE
N((E)(3ethoxy4((4nitrophenyl)methoxy)5prop2enylphenyl)methylideneamino)5nitro1benzofuran2carboxamide
ZINC000100253051
ZINC101751592
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