Vitas-M small molecule compound

(5Z)-2-(azepan-1-yl)-5-(5-bromo-2-methoxybenzylidene)-1,3-thiazol-4(5H)-one

Catalog ID
STK069328
SMILES COc1ccc(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)Br

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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 C17H19BrN2O2S MW 395.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN2O2S/c1-22-14-7-6-13(18)10-12(14)11-15-16(21)19-17(23-15)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9H2,1H3/b15-11-
InChIKey
YAUOTEBJFFZFOO-PTNGSMBKSA-N
Synonyms

(5Z)2(AZEPAN1YL)5((5BROMO2METHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(AZEPAN1YL)5(5BROMO2METHOXYBENZYLIDENE)13THIAZOL4(5H)ONE
2(HEXAHYDRO1HAZEPINE1YL)5((Z)2METHOXY5BROMOBENZYLIDENE)45DIHYDROTHIAZOLE4ONE
COC1=C(C=C(C=C1)Br)C=C2C(=O)N=C(S2)N3CCCCCC3
COc1ccc(cc1C=C1SC(=NC1=O)N1CCCCCC1)Br
InChI=1SC17H19BrN2O2Sc122147613(18)1012(14)111516(21)1917(2315)2084235920h671011H2589H21H3b1511
MFCD02983216
STK069328
ZINC000013898349
ZINC13898349

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Available files

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