Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-(4-ethylbenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK794809
SMILES CCc1ccc(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 C18H22N2OS MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2OS/c1-2-14-7-9-15(10-8-14)13-16-17(21)19-18(22-16)20-11-5-3-4-6-12-20/h7-10,13H,2-6,11-12H2,1H3/b16-13-InChIKey
BAMNDGQIQSHXOV-SSZFMOIBSA-NSynonyms
(5Z)2(AZEPAN1YL)5((4ETHYLPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(azepan1yl)5(4ethylbenzylidene)13thiazol4(5H)one
(E)2(azepan1yl)5(4ethylbenzylidene)thiazol4(5H)one
CCC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3
CCc1ccc(cc1)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC18H22N2OSc12147915(10814)131617(21)1918(2216)201153461220h71013H261112H21H3b1613
MFCD09539013
ZINC000013547668
ZINC13547668
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