Vitas-M small molecule compound
4-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STL056218
SMILES COc1cc(/C=N/NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)ccc1OC(=O)c1ccco1
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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 C20H19N5O7 MW 441.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O7/c1-12-19(25(28)29)13(2)24(23-12)11-18(26)22-21-10-14-6-7-15(17(9-14)30-3)32-20(27)16-5-4-8-31-16/h4-10H,11H2,1-3H3,(H,22,26)/b21-10+InChIKey
DSMKJWXVLISOPU-UFFVCSGVSA-NSynonyms
1005844-09-6(4((E)((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)FURAN2CARBOXYLATE
(E)4((2(2(35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazono)methyl)2methoxyphenylfuran2carboxylate
1005844096
4((E)(2((35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazinylidene)methyl)2methoxyphenylfuran2carboxylate
CC1=C(C(=NN1CC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C)(N+)(=O)(O)
COc1cc(C=NNC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)ccc1OC(=O)c1ccco1
InChI=1SC20H19N5O7c11219(25(28)29)13(2)24(2312)1118(26)222110146715(17(914)303)3220(27)165483116h410H11H213H3(H2226)b2110+
MFCD03887123
ZINC000001869153
ZINC33345659
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