Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperidin-1-yl)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK823356
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCC(CC1)Cc1ccccc1)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 C33H32N4O2S MW 548.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O2S/c1-2-39-29-15-13-26(14-16-29)31-27(23-37(35-31)28-11-7-4-8-12-28)22-30-32(38)34-33(40-30)36-19-17-25(18-20-36)21-24-9-5-3-6-10-24/h3-16,22-23,25H,2,17-21H2,1H3/b30-22-InChIKey
KGDILVPTOFOTGD-SWKFRHMKSA-NSynonyms
(5Z)2(4benzylpiperidin1yl)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4benzylpiperidin1yl)5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCC(CC1)Cc1ccccc1)c1ccccc1
InChI=1SC33H32N4O2Sc123929151326(141629)3127(2337(3531)28117481228)223032(38)3433(4030)36191725(182036)212495361024h316222325H21721H21H3b3022
MFCD03463884
ZINC000097947160
ZINC97947160
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