Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-[3-methoxy-4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one
Catalog ID
STK702136
SMILES CCCCCOc1ccc(cc1OC)/C=C\1/SC(=NC1=O)N1CCCCCC1
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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 C22H30N2O3S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O3S/c1-3-4-9-14-27-18-11-10-17(15-19(18)26-2)16-20-21(25)23-22(28-20)24-12-7-5-6-8-13-24/h10-11,15-16H,3-9,12-14H2,1-2H3/b20-16+InChIKey
IMTMLMGHSQUKNJ-CAPFRKAQSA-NSynonyms
(5E)2(AZEPAN1YL)5((3METHOXY4PENTOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(azepan1yl)5(3methoxy4(pentyloxy)benzylidene)13thiazol4(5H)one
(E)2(azepan1yl)5(3methoxy4(pentyloxy)benzylidene)thiazol4(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC
CCCCCOc1ccc(cc1OC)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC22H30N2O3Sc1349142718111017(1519(18)262)162021(25)2322(2820)241275681324h10111516H391214H212H3b2016+
MFCD02996036
ZINC000002304646
ZINC02304646
ZINC2304646
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