Vitas-M small molecule compound

1-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)urea

Catalog ID
STK487973
SMILES COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1cccc(c1)C)[N+](=O)[O-]

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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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-13-6-5-7-16(10-13)12-25-15(3)20(14(2)24-25)23-21(27)22-18-9-8-17(26(28)29)11-19(18)30-4/h5-11H,12H2,1-4H3,(H2,22,23,27)
InChIKey
RLDPBKSYSHUVBP-UHFFFAOYSA-N
Synonyms

1(35dimethyl1((3methylphenyl)methyl)pyrazol4yl)3(2methoxy4nitrophenyl)urea
1(35dimethyl1(3methylbenzyl)1Hpyrazol4yl)3(2methoxy4nitrophenyl)urea
CC1=CC(=CC=C1)CN2C(=C(C(=N2)C)NC(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))OC)C
COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1cccc(c1)C)(N+)(=O)(O)
InChI=1SC21H23N5O4c11365716(1013)122515(3)20(14(2)2425)2321(27)22189817(26(28)29)1119(18)304h511H12H214H3(H2222327)
MFCD09423550
N(35DIMETHYL1((3METHYLPHENYL)METHYL)PYRAZOL4YL)((2METHOXY4NITROPHENYL)AMINO)CARBOXAMIDE
ZINC000013331645
ZINC13331645

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Available files

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