Vitas-M small molecule compound
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[(2E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
Catalog ID
STL387972
SMILES O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)Br)C
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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 C20H18BrN5O5 MW 488.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O5/c1-12-19(21)13(2)25(24-12)11-14-3-5-15(6-4-14)20(28)23-22-17(27)9-7-16-8-10-18(31-16)26(29)30/h3-10H,11H2,1-2H3,(H,22,27)(H,23,28)/b9-7+InChIKey
DUAVRFKGNOQGKT-VQHVLOKHSA-NSynonyms
384854-63-1384854631
4((4bromo35dimethyl1Hpyrazol1yl)methyl)N((2E)3(5nitrofuran2yl)prop2enoyl)benzohydrazide
4((4bromo35dimethylpyrazol1yl)methyl)N((E)3(5nitrofuran2yl)prop2enoyl)benzohydrazide
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=O)C=CC3=CC=C(O3)(N+)(=O)(O))C)Br
InChI=1SC20H18BrN5O5c11219(21)13(2)25(2412)11143515(6414)20(28)232217(27)971681018(3116)26(29)30h310H11H212H3(H2227)(H2328)b97+
MFCD02055494
O=C(C=Cc1ccc(o1)(N+)(=O)(O))NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)Br)C
ZINC000002754740
ZINC02754740
ZINC2754740
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