Vitas-M small molecule compound

N,N'-bis(4-ethoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide

Catalog ID
STK838794
SMILES CCOc1ccc(cc1)NC(=O)c1nn(c(c1[N+](=O)[O-])C(=O)Nc1ccc(cc1)OCC)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 C22H23N5O6 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O6/c1-4-32-16-10-6-14(7-11-16)23-21(28)18-19(27(30)31)20(26(3)25-18)22(29)24-15-8-12-17(13-9-15)33-5-2/h6-13H,4-5H2,1-3H3,(H,23,28)(H,24,29)
InChIKey
GMLHUUDJHDMTKA-UHFFFAOYSA-N
Synonyms

1METHYL4NITRO1HPYRAZOLE35DICARBOXYLICACIDBIS((4ETHOXYPHENYL)AMIDE)
3N5NBIS(4ETHOXYPHENYL)1METHYL4NITROPYRAZOLE35DICARBOXAMIDE
CCOC1=CC=C(C=C1)NC(=O)C2=C(C(=NN2C)C(=O)NC3=CC=C(C=C3)OCC)(N+)(=O)(O)
CCOc1ccc(cc1)NC(=O)c1nn(c(c1(N+)(=O)(O))C(=O)Nc1ccc(cc1)OCC)C
InChI=1SC22H23N5O6c14321610614(71116)2321(28)1819(27(30)31)20(26(3)2518)22(29)241581217(13915)3352h613H45H213H3(H2328)(H2429)
MFCD01892243
N(4ETHOXYPHENYL)(3(N(4ETHOXYPHENYL)CARBAMOYL)1METHYL4NITROPYRAZOL5YL)CARBOXAMIDE
N3N5bis(4ethoxyphenyl)1methyl4nitro1Hpyrazole35dicarboxamide
NNbis(4ethoxyphenyl)1methyl4nitro1Hpyrazole35dicarboxamide
ZINC000000857670
ZINC00857670
ZINC857670

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Available files

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