Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Catalog ID
STK799181
SMILES CCOc1ccc(c(c1)C)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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-3-33-22-12-13-23(19(2)16-22)25-20(18-31(29-25)21-10-6-4-7-11-21)17-24-26(32)28-27(34-24)30-14-8-5-9-15-30/h4,6-7,10-13,16-18H,3,5,8-9,14-15H2,1-2H3/b24-17-InChIKey
UPURRQFUVHKAEA-ULJHMMPZSA-NSynonyms
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(piperidin1yl)13thiazol4(5H)one
(5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PIPERIDIN1YL13THIAZOL4ONE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCC1)c1ccccc1
InChI=1SC27H28N4O2Sc133322121323(19(2)1622)2520(1831(2925)21106471121)172426(32)2827(3424)30148591530h46710131618H35891415H212H3b2417
MFCD03418452
ZINC000016700765
ZINC16700765
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