Vitas-M small molecule compound

4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylbutyl)-4-oxobutanamide

Catalog ID
STK940419
SMILES CC(CCNC(=O)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2)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 C20H28N4O2S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S/c1-15(2)9-10-21-18(25)7-8-19(26)23-11-13-24(14-12-23)20-16-5-3-4-6-17(16)27-22-20/h3-6,15H,7-14H2,1-2H3,(H,21,25)
InChIKey
XCIYDBJOELMSLZ-UHFFFAOYSA-N
Synonyms
1232771-09-3
1232771093
4(4(12benzothiazol3yl)piperazin1yl)N(3methylbutyl)4oxobutanamide
4(4(benzo(d)isothiazol3yl)piperazin1yl)Nisopentyl4oxobutanamide
CC(C)CCNC(=O)CCC(=O)N1CCN(CC1)C2=NSC3=CC=CC=C32
InChI=1SC20H28N4O2Sc115(2)9102118(25)7819(26)23111324(141223)2016534617(16)272220h3615H714H212H3(H2125)
MFCD18069194
ZINC000044918907
ZINC44918907

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Available files

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