Vitas-M small molecule compound

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

Catalog ID
STK795331
SMILES O=C1N=C(S/C/1=C\c1ccc(cc1)Cl)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 C16H17ClN2OS MW 320.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN2OS/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
LOSOWJWFLZCDOF-KAMYIIQDSA-N
Synonyms
311785-24-7
(5Z)2(AZEPAN1YL)5((4CHLOROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(azepan1yl)5(4chlorobenzylidene)13thiazol4(5H)one
(Z)2(azepan1yl)5(4chlorobenzylidene)thiazol4(5H)one
2AZEPAN1YL5(4CHLOROBENZYLIDENE)THIAZOL4ONE
311785247
C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)Cl)S2
InChI=1SC16H17ClN2OSc17137512(6813)111415(20)1816(2114)19931241019h5811H14910H2b1411
MFCD01151893
O=C1N=C(SC1=Cc1ccc(cc1)Cl)N1CCCCCC1
ZINC000013536572
ZINC13536572

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Available files

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