Vitas-M small molecule compound

5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chlorobenzamide

Catalog ID
STK131149
SMILES N#Cc1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1cc(Br)ccc1Cl

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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 C20H20BrClN2OS MW 451.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrClN2OS/c1-20(2,3)11-4-6-13-15(10-23)19(26-17(13)8-11)24-18(25)14-9-12(21)5-7-16(14)22/h5,7,9,11H,4,6,8H2,1-3H3,(H,24,25)
InChIKey
HXFDFIWYEMYCQR-UHFFFAOYSA-N
Synonyms

5bromoN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2chlorobenzamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)Br)Cl
InChI=1SC20H20BrClN2OSc120(23)11461315(1023)19(2617(13)811)2418(25)14912(21)5716(14)22h57911H468H213H3(H2425)
MFCD05986798
ZINC000002845089
ZINC000002845090

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Available files

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