Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK706432
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)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/c1-2-18-34-24-14-12-21(13-15-24)26-22(20-32(30-26)23-10-6-5-7-11-23)19-25-27(33)29-28(35-25)31-16-8-3-4-9-17-31/h5-7,10-15,19-20H,2-4,8-9,16-18H2,1H3/b25-19-InChIKey
VIJHGIRMTJVJOT-PLRJNAJWSA-NSynonyms
(5Z)2(azepan1yl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(AZEPAN1YL)5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(E)2(azepan1yl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylene)thiazol4(5H)one
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1
InChI=1SC28H30N4O2Sc12183424141221(131524)2622(2032(3026)23106571123)192527(33)2928(3525)311683491731h5710151920H24891618H21H3b2519
MFCD03212341
ZINC000027017185
ZINC27017185
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