Vitas-M small molecule compound

2,4-dichloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

Catalog ID
STK763272
SMILES N#Cc1c(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc2c1CCCC2

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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 C17H13Cl2N3OS2 MW 410.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2N3OS2/c18-9-5-6-11(13(19)7-9)15(23)21-17(24)22-16-12(8-20)10-3-1-2-4-14(10)25-16/h5-7H,1-4H2,(H2,21,22,23,24)
InChIKey
ANCMZQVYHCUNNU-UHFFFAOYSA-N
Synonyms
372970-67-7
24dichloroN((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
24dichloroN((3cyano4567tetrahydrobenzo(b)thiophen2yl)carbamothioyl)benzamide
372970677
C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N
InChI=1SC17H13Cl2N3OS2c1895611(13(19)79)15(23)2117(24)221612(820)10312414(10)2516h57H14H2(H221222324)
MFCD01954678
ZINC000002287239
ZINC02287239
ZINC2287239

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Available files

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