Vitas-M small molecule compound

1-{(E)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-(2-hydroxy-5-nitrophenyl)urea

Catalog ID
STL295769
SMILES O=C(Nc1cc(ccc1O)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(cc1)F)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 C18H14FN5O5 MW 399.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14FN5O5/c1-10-14(17(26)23(22-10)12-4-2-11(19)3-5-12)9-20-18(27)21-15-8-13(24(28)29)6-7-16(15)25/h2-9,25H,1H3,(H2,20,21,27)/b14-9+
InChIKey
GRUVIZPJIHPCBX-NTEUORMPSA-N
Synonyms

1((E)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)3(2hydroxy5nitrophenyl)urea
1((E)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)3(2hydroxy5nitrophenyl)urea
CC1=NN(C(=O)C1=CNC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))O)C3=CC=C(C=C3)F
InChI=1SC18H14FN5O5c11014(17(26)23(2210)124211(19)3512)92018(27)2115813(24(28)29)6716(15)25h2925H1H3(H2202127)b149+
MFCD28033132
O=C(Nc1cc(ccc1O)(N+)(=O)(O))NC=C1C(=NN(C1=O)c1ccc(cc1)F)C
ZINC000101123433
ZINC101123433

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Available files

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