Vitas-M small molecule compound

(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(3-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one

Catalog ID
STK881247
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCC(C1)C)c1ccccc1

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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 C29H32N4OS2 MW 516.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4OS2/c1-3-4-17-35-25-14-12-22(13-15-25)27-23(20-33(31-27)24-10-6-5-7-11-24)18-26-28(34)30-29(36-26)32-16-8-9-21(2)19-32/h5-7,10-15,18,20-21H,3-4,8-9,16-17,19H2,1-2H3/b26-18-
InChIKey
KBAQANIJXPDVHD-ITYLOYPMSA-N
Synonyms
955900-35-3
(5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(3methylpiperidin1yl)13thiazol4(5H)one
(5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(3METHYLPIPERIDIN1YL)13THIAZOL4ONE
(Z)5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)2(3methylpiperidin1yl)thiazol4(5H)one
955900353
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCC(C4)C)C5=CC=CC=C5
CCCCSc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCCC(C1)C)c1ccccc1
InChI=1SC29H32N4OS2c134173525141222(131525)2723(2033(3127)24106571124)182628(34)3029(3626)32168921(2)1932h571015182021H3489161719H212H3b2618
MFCD03684226
ZINC000002245814
ZINC000002245816

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Available files

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