Vitas-M small molecule compound

4-(1,2-benzothiazol-3-yl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide

Catalog ID
STK261842
SMILES S=C(N1CCN(CC1)c1nsc2c1cccc2)Nc1ccc(cc1)C(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 C21H24N4S2 MW 396.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4S2/c1-15(2)16-7-9-17(10-8-16)22-21(26)25-13-11-24(12-14-25)20-18-5-3-4-6-19(18)27-23-20/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKey
MQKKRZTVFJYGBZ-UHFFFAOYSA-N
Synonyms

(4BENZO(D)ISOTHIAZOL3YLPIPERAZINYL)((4(METHYLETHYL)PHENYL)AMINO)METHANE1THIONE
4(12benzothiazol3yl)N(4(propan2yl)phenyl)piperazine1carbothioamide
4(12benzothiazol3yl)N(4propan2ylphenyl)piperazine1carbothioamide
CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC21H24N4S2c115(2)167917(10816)2221(26)25131124(121425)2018534619(18)272320h31015H1114H212H3(H2226)
MFCD07153431
ZINC000009481914
ZINC09481914
ZINC9481914

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.