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-{[(4-methoxyphenyl)carbonyl]amino}alaninate

Catalog ID
STK765674
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C)NC(=O)c1ccc(cc1)OC

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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)15-8-11-17-18(13-29)21(36-19(17)12-15)31-24(22(33)35-5,25(26,27)28)30-20(32)14-6-9-16(34-4)10-7-14/h6-7,9-10,15,31H,8,11-12H2,1-5H3,(H,30,32)
InChIKey
BHSHQFHLRUBLPQ-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC25H28F3N3O4Sc123(23)158111718(1329)21(3619(17)1215)3124(22(33)35525(2627)28)3020(32)146916(344)10714h679101531H81112H215H3(H3032)
methyl2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4methoxybenzoyl)amino)propanoate
methylN(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2(((4methoxyphenyl)carbonyl)amino)alaninate
MFCD02933994
ZINC000002191783
ZINC000002191786

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Available files

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