Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-(2,4-dichlorobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK021386
SMILES Clc1ccc(c(c1)Cl)/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 C16H16Cl2N2OS MW 355.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16Cl2N2OS/c17-12-6-5-11(13(18)10-12)9-14-15(21)19-16(22-14)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8H2/b14-9-InChIKey
DHQRDEZELJCRSB-ZROIWOOFSA-NSynonyms
(5Z)2(AZEPAN1YL)5((24DICHLOROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(AZEPAN1YL)5(24DICHLOROBENZYLIDENE)13THIAZOL4(5H)ONE
C1CCCN(CC1)C2=NC(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)S2
Clc1ccc(c(c1)Cl)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC16H16Cl2N2OSc17126511(13(18)1012)91415(21)1916(2214)2073124820h56910H1478H2b149
MFCD08049865
STK021386
ZINC000004590508
ZINC04590508
ZINC4590508
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