Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(3-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
Catalog ID
STK799236
SMILES CC1CCCN(C1)C1=NC(=O)/C(=C/c2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)/S1
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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 C32H29FN4O2S MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29FN4O2S/c1-22-8-7-17-36(19-22)32-34-31(38)29(40-32)18-25-20-37(26-10-3-2-4-11-26)35-30(25)23-13-15-27(16-14-23)39-21-24-9-5-6-12-28(24)33/h2-6,9-16,18,20,22H,7-8,17,19,21H2,1H3/b29-18-InChIKey
MWAOCMKGPYMGNU-MIXAMLLLSA-NSynonyms
(5Z)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(3methylpiperidin1yl)13thiazol4(5H)one
(5Z)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2(3methylpiperidin1yl)13thiazol4one
CC1CCCN(C1)C1=NC(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)S1
CC1CCCN(C1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5F)C6=CC=CC=C6)S2
InChI=1SC32H29FN4O2Sc122871736(1922)323431(38)29(4032)18252037(26103241126)3530(25)23131527(161423)3921249561228(24)33h26916182022H78171921H21H3b2918
MFCD03418472
ZINC000100839854
ZINC000100839855
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