Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-[4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one
Catalog ID
STK702541
SMILES CCCCCOc1ccc(cc1)/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 C21H28N2O2S MW 372.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O2S/c1-2-3-8-15-25-18-11-9-17(10-12-18)16-19-20(24)22-21(26-19)23-13-6-4-5-7-14-23/h9-12,16H,2-8,13-15H2,1H3/b19-16+InChIKey
CHASLOJDSDXRGD-KNTRCKAVSA-NSynonyms
(5E)2(azepan1yl)5((4pentoxyphenyl)methylidene)13thiazol4one
(5E)2(azepan1yl)5(4(pentyloxy)benzylidene)13thiazol4(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3
CCCCCOc1ccc(cc1)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC21H28N2O2Sc123815251811917(101218)161920(24)2221(2619)231364571423h91216H281315H21H3b1916+
MFCD02993854
ZINC000002677971
ZINC02677971
ZINC2677971
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