Vitas-M small molecule compound

N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}cyclopentanecarboxamide

Catalog ID
STL063888
SMILES S=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)NC(=O)C1CCCC1

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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 C21H21N3OS2 MW 395.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS2/c1-13-6-11-17-18(12-13)27-20(23-17)15-7-9-16(10-8-15)22-21(26)24-19(25)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H2,22,24,25,26)
InChIKey
RKVFIFJSVRKEIG-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4CCCC4
InChI=1SC21H21N3OS2c1136111718(1213)2720(2317)157916(10815)2221(26)2419(25)14423514h61214H25H21H3(H222242526)
MFCD04276250
N((4(6methyl13benzothiazol2yl)phenyl)carbamothioyl)cyclopentanecarboxamide
N(CYCLOPENTYLCARBONYL)N(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)THIOUREA
ZINC000001079259
ZINC01079259
ZINC1079259

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Available files

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