Vitas-M small molecule compound
2-methoxy-4-{(E)-[2-({4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)hydrazinylidene]methyl}phenyl acetate
Catalog ID
STL056455
SMILES COc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1OC(=O)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 C22H21N5O6 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O6/c1-14-10-21(27(30)31)25-26(14)13-16-4-7-18(8-5-16)22(29)24-23-12-17-6-9-19(33-15(2)28)20(11-17)32-3/h4-12H,13H2,1-3H3,(H,24,29)/b23-12+InChIKey
SEVUQHFJDBQPBF-FSJBWODESA-NSynonyms
1006505-69-6(2METHOXY4((E)((4((5METHYL3NITROPYRAZOL1YL)METHYL)BENZOYL)HYDRAZINYLIDENE)METHYL)PHENYL)ACETATE
(E)2methoxy4((2(4((5methyl3nitro1Hpyrazol1yl)methyl)benzoyl)hydrazono)methyl)phenylacetate
1006505696
2methoxy4((E)(2((4((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)hydrazinylidene)methyl)phenylacetate
CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)OC(=O)C)OC)(N+)(=O)(O)
COc1cc(C=NNC(=O)c2ccc(cc2)Cn2nc(cc2C)(N+)(=O)(O))ccc1OC(=O)C
InChI=1SC22H21N5O6c1141021(27(30)31)2526(14)13164718(8516)22(29)242312176919(3315(2)28)20(1117)323h412H13H213H3(H2429)b2312+
MFCD03328195
ZINC000009216040
ZINC33335038
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