Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-(4-butoxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK702139
SMILES CCCCOc1ccc(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 C21H28N2O3S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3S/c1-3-4-13-26-17-10-9-16(14-18(17)25-2)15-19-20(24)22-21(27-19)23-11-7-5-6-8-12-23/h9-10,14-15H,3-8,11-13H2,1-2H3/b19-15+InChIKey
IUYQAPPCQWZJHA-XDJHFCHBSA-NSynonyms
(5E)2(AZEPAN1YL)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(azepan1yl)5(4butoxy3methoxybenzylidene)13thiazol4(5H)one
(E)2(azepan1yl)5(4butoxy3methoxybenzylidene)thiazol4(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC
CCCCOc1ccc(cc1OC)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC21H28N2O3Sc13413261710916(1418(17)252)151920(24)2221(2719)231175681223h9101415H381113H212H3b1915+
MFCD02997523
ZINC000002306845
ZINC02306845
ZINC2306845
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