Vitas-M small molecule compound
1-[1-(2-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)urea
Catalog ID
STK487392
SMILES COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1ccccc1F)[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 C20H20FN5O4 MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN5O4/c1-12-19(13(2)25(24-12)11-14-6-4-5-7-16(14)21)23-20(27)22-17-9-8-15(26(28)29)10-18(17)30-3/h4-10H,11H2,1-3H3,(H2,22,23,27)InChIKey
PJNUJRWAVKHFCQ-UHFFFAOYSA-NSynonyms
1(1((2fluorophenyl)methyl)35dimethylpyrazol4yl)3(2methoxy4nitrophenyl)urea
1(1(2fluorobenzyl)35dimethyl1Hpyrazol4yl)3(2methoxy4nitrophenyl)urea
CC1=C(C(=NN1CC2=CC=CC=C2F)C)NC(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))OC
COc1cc(ccc1NC(=O)Nc1c(C)nn(c1C)Cc1ccccc1F)(N+)(=O)(O)
InChI=1SC20H20FN5O4c11219(13(2)25(2412)1114645716(14)21)2320(27)22179815(26(28)29)1018(17)303h410H11H213H3(H2222327)
MFCD05140702
ZINC000013331254
ZINC13331254
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