Vitas-M small molecule compound

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

Catalog ID
STK051230
SMILES Brc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)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 C21H14BrN3OS2 MW 468.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3OS2/c22-15-7-3-5-13(11-15)19(26)25-21(27)23-16-8-4-6-14(12-16)20-24-17-9-1-2-10-18(17)28-20/h1-12H,(H2,23,25,26,27)
InChIKey
ACTMKOXOLFPLLE-UHFFFAOYSA-N
Synonyms

Brc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)c1nc2c(s1)cccc2
C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br
InChI=1SC21H14BrN3OS2c221573513(1115)19(26)2521(27)231684614(1216)2024179121018(17)2820h112H(H223252627)
MFCD02917860
N((3(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)3BROMOBENZAMIDE
STK051230
ZINC000002982554
ZINC02982554
ZINC2982554

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Available files

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