Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-(4-tert-butylbenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK031135
SMILES CC(c1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCCCCC1)(C)C
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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 C20H26N2OS MW 342.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2OS/c1-20(2,3)16-10-8-15(9-11-16)14-17-18(23)21-19(24-17)22-12-6-4-5-7-13-22/h8-11,14H,4-7,12-13H2,1-3H3/b17-14-InChIKey
RYSGZGRYVBQMSO-VKAVYKQESA-NSynonyms
(5Z)2(AZEPAN1YL)5((4TERTBUTYLPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(AZEPAN1YL)5(4TERTBUTYLBENZYLIDENE)13THIAZOL4(5H)ONE
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3
CC(c1ccc(cc1)C=C1SC(=NC1=O)N1CCCCCC1)(C)C
InChI=1SC20H26N2OSc120(23)1610815(91116)141718(23)2119(2417)221264571322h81114H471213H213H3b1714
MFCD02193408
STK031135
ZINC000004603697
ZINC04603697
ZINC4603697
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