Vitas-M small molecule compound
2-bromo-4-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL295761
SMILES N#CSc1ccc(cc1Br)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 C22H15BrN4OS MW 463.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrN4OS/c1-14-18(12-25-16-9-10-21(29-13-24)19(23)11-16)22(28)27(26-14)20-8-4-6-15-5-2-3-7-17(15)20/h2-12,25H,1H3/b18-12+InChIKey
BYOWOEWGIABNKB-LDADJPATSA-NSynonyms
(2bromo4(((E)(3methyl1naphthalen1yl5oxopyrazol4ylidene)methyl)amino)phenyl)thiocyanate
2bromo4(((E)(3methyl1(naphthalen1yl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)Br)C3=CC=CC4=CC=CC=C43
InChI=1SC22H15BrN4OSc11418(12251691021(291324)19(23)1116)22(28)27(2614)2084615523717(15)20h21225H1H3b1812+
MFCD28033127
N#CSc1ccc(cc1Br)NC=C1C(=NN(C1=O)c1cccc2c1cccc2)C
ZINC000101123664
ZINC101123664
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