Vitas-M small molecule compound

4-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrophenyl thiocyanate

Catalog ID
STL359472
SMILES N#CSc1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1cccc2c1cccc2)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 C22H15N5O3S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N5O3S/c1-14-18(12-24-19-10-9-16(31-13-23)11-21(19)27(29)30)22(28)26(25-14)20-8-4-6-15-5-2-3-7-17(15)20/h2-12,24H,1H3/b18-12+
InChIKey
RZRFTTITRRZMKK-LDADJPATSA-N
Synonyms

(4(((E)(3methyl1naphthalen1yl5oxopyrazol4ylidene)methyl)amino)3nitrophenyl)thiocyanate
4(((E)(3methyl1(naphthalen1yl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3nitrophenylthiocyanate
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)SC#N)(N+)(=O)(O))C3=CC=CC4=CC=CC=C43
InChI=1SC22H15N5O3Sc11418(12241910916(311323)1121(19)27(29)30)22(28)26(2514)2084615523717(15)20h21224H1H3b1812+
MFCD28033712
N#CSc1ccc(c(c1)(N+)(=O)(O))NC=C1C(=NN(C1=O)c1cccc2c1cccc2)C
ZINC000101123615
ZINC101123615

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Available files

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