Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Catalog ID
STK799242
SMILES O=C1N=C(S/C/1=C\c1cn(nc1c1ccc(cc1)OCc1ccccc1F)c1ccccc1)N1CCN(CC1)Cc1ccccc1
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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 C37H32FN5O2S MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H32FN5O2S/c38-33-14-8-7-11-29(33)26-45-32-17-15-28(16-18-32)35-30(25-43(40-35)31-12-5-2-6-13-31)23-34-36(44)39-37(46-34)42-21-19-41(20-22-42)24-27-9-3-1-4-10-27/h1-18,23,25H,19-22,24,26H2/b34-23-InChIKey
ODTZHYWVDHCLIK-XSVYLIDLSA-NSynonyms
(5Z)2(4benzylpiperazin1yl)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4benzylpiperazin1yl)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC6=CC=CC=C6F)C7=CC=CC=C7)S3
InChI=1SC37H32FN5O2Sc383314871129(33)264532171528(161832)3530(2543(4035)31125261331)233436(44)3937(4634)42211941(202242)242793141027h1182325H19222426H2b3423
MFCD03462342
O=C1N=C(SC1=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1F)c1ccccc1)N1CCN(CC1)Cc1ccccc1
ZINC000097957669
ZINC97957669
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