Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK822976
SMILES O=C1N=C(S/C/1=C\c1cn(nc1c1cccs1)c1ccccc1)N1CCCCCC1
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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 C23H22N4OS2 MW 434.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4OS2/c28-22-20(30-23(24-22)26-12-6-1-2-7-13-26)15-17-16-27(18-9-4-3-5-10-18)25-21(17)19-11-8-14-29-19/h3-5,8-11,14-16H,1-2,6-7,12-13H2/b20-15-InChIKey
GKRXHLBFRYKRCQ-HKWRFOASSA-NSynonyms
(5Z)2(azepan1yl)5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(azepan1yl)5((1phenyl3thiophen2ylpyrazol4yl)methylidene)13thiazol4one
C1CCCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)S2
InChI=1SC23H22N4OS2c282220(3023(2422)261261271326)15171627(1894351018)2521(17)19118142919h358111416H12671213H2b2015
MFCD03463538
O=C1N=C(SC1=Cc1cn(nc1c1cccs1)c1ccccc1)N1CCCCCC1
ZINC000027018088
ZINC27018088
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