Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene]-1,3-thiazol-4(5H)-one
Catalog ID
STK702134
SMILES COc1cc(ccc1OCCC(C)C)/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/c1-16(2)10-13-27-18-9-8-17(14-19(18)26-3)15-20-21(25)23-22(28-20)24-11-6-4-5-7-12-24/h8-9,14-16H,4-7,10-13H2,1-3H3/b20-15+InChIKey
ITZYFFXASSEWCU-HMMYKYKNSA-NSynonyms
(5E)2(AZEPAN1YL)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(azepan1yl)5(3methoxy4(3methylbutoxy)benzylidene)13thiazol4(5H)one
(E)2(azepan1yl)5(4(isopentyloxy)3methoxybenzylidene)thiazol4(5H)one
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC
COc1cc(ccc1OCCC(C)C)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC22H30N2O3Sc116(2)101327189817(1419(18)263)152021(25)2322(2820)241164571224h891416H471013H213H3b2015+
MFCD02987713
ZINC000002375723
ZINC02375723
ZINC2375723
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