Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-(4-bromobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK795332
SMILES O=C1N=C(S/C/1=C\c1ccc(cc1)Br)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 C16H17BrN2OS MW 365.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2OS/c17-13-7-5-12(6-8-13)11-14-15(20)18-16(21-14)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2/b14-11-InChIKey
MWJUQSNOBXKUJS-KAMYIIQDSA-NSynonyms
311781-35-8(5Z)2(AZEPAN1YL)5((4BROMOPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(azepan1yl)5(4bromobenzylidene)13thiazol4(5H)one
(Z)2(azepan1yl)5(4bromobenzylidene)thiazol4(5H)one
311781358
C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)Br)S2
InChI=1SC16H17BrN2OSc17137512(6813)111415(20)1816(2114)19931241019h5811H14910H2b1411
MFCD01151896
O=C1N=C(SC1=Cc1ccc(cc1)Br)N1CCCCCC1
ZINC000013534790
ZINC13534790
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