Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK701933
SMILES O=C1N=C(S/C/1=C/c1ccc(o1)c1cc(Cl)ccc1Cl)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 C20H18Cl2N2O2S MW 421.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O2S/c21-13-5-7-16(22)15(11-13)17-8-6-14(26-17)12-18-19(25)23-20(27-18)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2/b18-12+InChIKey
OHCKUHXEPDBSAH-LDADJPATSA-NSynonyms
(5E)2(azepan1yl)5((5(25dichlorophenyl)furan2yl)methylidene)13thiazol4(5H)one
(5E)2(AZEPAN1YL)5((5(25DICHLOROPHENYL)FURAN2YL)METHYLIDENE)13THIAZOL4ONE
C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)S2
InChI=1SC20H18Cl2N2O2Sc21135716(22)15(1113)178614(2617)121819(25)2320(2718)24931241024h581112H14910H2b1812+
MFCD02293645
O=C1N=C(SC1=Cc1ccc(o1)c1cc(Cl)ccc1Cl)N1CCCCCC1
ZINC000016791086
ZINC16791086
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