Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
Catalog ID
STK815739
SMILES CCCCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCOCC1)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 C27H27FN4O3S MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O3S/c1-2-3-13-35-23-10-9-19(16-22(23)28)25-20(18-32(30-25)21-7-5-4-6-8-21)17-24-26(33)29-27(36-24)31-11-14-34-15-12-31/h4-10,16-18H,2-3,11-15H2,1H3/b24-17-InChIKey
NARYSKIQMBBACW-ULJHMMPZSA-NSynonyms
(5Z)5((3(4butoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2(morpholin4yl)13thiazol4(5H)one
(5Z)5((3(4BUTOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2MORPHOLIN4YL13THIAZOL4ONE
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5)F
CCCCOc1ccc(cc1F)c1nn(cc1C=C1SC(=NC1=O)N1CCOCC1)c1ccccc1
InChI=1SC27H27FN4O3Sc12313352310919(1622(23)28)2520(1832(3025)217546821)172426(33)2927(3624)31111434151231h4101618H231115H21H3b2417
MFCD03506689
ZINC000016732745
ZINC16732745
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