Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Catalog ID
STK813369
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCC1)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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-2-3-18-34-24-14-12-21(13-15-24)26-22(20-32(30-26)23-10-6-4-7-11-23)19-25-27(33)29-28(35-25)31-16-8-5-9-17-31/h4,6-7,10-15,19-20H,2-3,5,8-9,16-18H2,1H3/b25-19-InChIKey
KIUOAARDBCCEBX-PLRJNAJWSA-NSynonyms
(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(piperidin1yl)13thiazol4(5H)one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PIPERIDIN1YL13THIAZOL4ONE
5((3(4BUTOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2(PIPERIDIN1YL)THIAZOL4(5H)ONE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCCCC1)c1ccccc1
InChI=1SC28H30N4O2Sc123183424141221(131524)2622(2032(3026)23106471123)192527(33)2928(3525)31168591731h46710151920H235891618H21H3b2519
MFCD04441521
ZINC000002533133
ZINC02533133
ZINC2533133
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