Vitas-M small molecule compound

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

Catalog ID
STK255259
SMILES S=C(NC(=O)c1ccccc1Br)Nc1ccc(c(c1)Cl)c1nc2c(s1)cccc2

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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 C21H13BrClN3OS2 MW 502.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrClN3OS2/c22-15-6-2-1-5-13(15)19(27)26-21(28)24-12-9-10-14(16(23)11-12)20-25-17-7-3-4-8-18(17)29-20/h1-11H,(H2,24,26,27,28)
InChIKey
IHLKNYVNNQVVHJ-UHFFFAOYSA-N
Synonyms

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl)Br
InChI=1SC21H13BrClN3OS2c2215621513(15)19(27)2621(28)241291014(16(23)1112)202517734818(17)2920h111H(H224262728)
MFCD04071903
N((4(13benzothiazol2yl)3chlorophenyl)carbamothioyl)2bromobenzamide
ZINC000002590271
ZINC02590271
ZINC2590271

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Available files

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