Vitas-M small molecule compound

methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(2-methoxyphenyl)carbonyl]amino}alaninate

Catalog ID
STK765675
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C

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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 C25H28F3N3O4S MW 523.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3N3O4S/c1-23(2,3)14-10-11-15-17(13-29)21(36-19(15)12-14)31-24(22(33)35-5,25(26,27)28)30-20(32)16-8-6-7-9-18(16)34-4/h6-9,14,31H,10-12H2,1-5H3,(H,30,32)
InChIKey
OYCIWYKVZVMBSR-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3OC
InChI=1SC25H28F3N3O4Sc123(23)1410111517(1329)21(3619(15)1214)3124(22(33)35525(2627)28)3020(32)16867918(16)344h691431H1012H215H3(H3032)
methyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((2methoxybenzoyl)amino)propanoate
methylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2(((2methoxyphenyl)carbonyl)amino)alaninate
MFCD02933995
ZINC000002191787
ZINC000002191790

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Available files

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