Vitas-M small molecule compound

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

Catalog ID
STK706609
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCC(CC1)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 C29H31ClN4O2S MW 535.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN4O2S/c1-3-4-16-36-25-11-10-21(17-24(25)30)27-22(19-34(32-27)23-8-6-5-7-9-23)18-26-28(35)31-29(37-26)33-14-12-20(2)13-15-33/h5-11,17-20H,3-4,12-16H2,1-2H3/b26-18-
InChIKey
ZDOBWZJPTMWKKE-ITYLOYPMSA-N
Synonyms
1008881-35-3
(5Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)2(4methylpiperidin1yl)13thiazol4(5H)one
(5Z)5((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4METHYLPIPERIDIN1YL)13THIAZOL4ONE
(Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)2(4methylpiperidin1yl)thiazol4(5H)one
1008881353
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=NC1=O)N1CCC(CC1)C)c1ccccc1
InChI=1SC29H31ClN4O2Sc134163625111021(1724(25)30)2722(1934(3227)238657923)182628(35)3129(3726)33141220(2)131533h5111720H341216H212H3b2618
MFCD04005821
ZINC000101029031
ZINC101029031

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Available files

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