Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperidin-1-yl)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Catalog ID
STK799031
SMILES O=C1N=C(S/C/1=C\c1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)N1CCC(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 C38H33ClN4O2S MW 645.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H33ClN4O2S/c39-34-14-8-7-11-30(34)26-45-33-17-15-29(16-18-33)36-31(25-43(41-36)32-12-5-2-6-13-32)24-35-37(44)40-38(46-35)42-21-19-28(20-22-42)23-27-9-3-1-4-10-27/h1-18,24-25,28H,19-23,26H2/b35-24-InChIKey
SETVQTVOXZYWGL-BGDIREAQSA-NSynonyms
(5Z)2(4benzylpiperidin1yl)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4benzylpiperidin1yl)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
C1CN(CCC1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC6=CC=CC=C6Cl)C7=CC=CC=C7)S3
InChI=1SC38H33ClN4O2Sc393414871130(34)264533171529(161833)3631(2543(4136)32125261332)243537(44)4038(4635)42211928(202242)232793141027h118242528H192326H2b3524
MFCD03462219
O=C1N=C(SC1=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)N1CCC(CC1)Cc1ccccc1
ZINC000097957658
ZINC97957658
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