Vitas-M small molecule compound

ethyl N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate

Catalog ID
STK535294
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCCC2)NC(=O)c1ccccc1

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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 C23H24F3N3O3S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24F3N3O3S/c1-2-32-21(31)22(23(24,25)26,28-19(30)15-10-6-5-7-11-15)29-20-17(14-27)16-12-8-3-4-9-13-18(16)33-20/h5-7,10-11,29H,2-4,8-9,12-13H2,1H3,(H,28,30)
InChIKey
CTUPETODBHMOLQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCCC2)C#N)NC(=O)C3=CC=CC=C3
ethyl2benzamido2((3cyano456789hexahydrocycloocta(b)thiophen2yl)amino)333trifluoropropanoate
ethylN(3cyano456789hexahydrocycloocta(b)thiophen2yl)333trifluoro2((phenylcarbonyl)amino)alaninate
InChI=1SC23H24F3N3O3Sc123221(31)22(23(2425)262819(30)15106571115)292017(1427)161283491318(16)3320h57101129H24891213H21H3(H2830)
MFCD02934170
ZINC000002228544
ZINC000002228545

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Available files

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