Vitas-M small molecule compound

N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chlorobenzamide

Catalog ID
STK083097
SMILES Clc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)c1nc2c(s1)cccc2)Cl

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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 C21H13Cl2N3OS2 MW 458.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N3OS2/c22-13-5-3-4-12(10-13)19(27)26-21(28)24-14-8-9-16(23)15(11-14)20-25-17-6-1-2-7-18(17)29-20/h1-11H,(H2,24,26,27,28)
InChIKey
AZLQQSWWLPPKGB-UHFFFAOYSA-N
Synonyms

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl)Cl
Clc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)c1nc2c(s1)cccc2)Cl
InChI=1SC21H13Cl2N3OS2c221353412(1013)19(27)2621(28)24148916(23)15(1114)202517612718(17)2920h111H(H224262728)
MFCD02628629
N((3(13BENZOTHIAZOL2YL)4CHLOROPHENYL)CARBAMOTHIOYL)3CHLOROBENZAMIDE
STK083097
ZINC000002978921
ZINC02978921
ZINC2978921

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Available files

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