Vitas-M small molecule compound
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(4-methoxyphenyl)carbonyl]amino}alaninate
Catalog ID
STK765858
SMILES COc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(=O)OC)Nc1sc2c(c1C#N)CCC(C2)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 C22H22F3N3O4S MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O4S/c1-12-4-9-15-16(11-26)19(33-17(15)10-12)28-21(20(30)32-3,22(23,24)25)27-18(29)13-5-7-14(31-2)8-6-13/h5-8,12,28H,4,9-10H2,1-3H3,(H,27,29)InChIKey
ZFCITWKNLVIIOT-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC22H22F3N3O4Sc112491516(1126)19(3317(15)1012)2821(20(30)32322(2324)25)2718(29)135714(312)8613h581228H4910H213H3(H2729)
methyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4methoxybenzoyl)amino)propanoate
methylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((4methoxyphenyl)carbonyl)amino)alaninate
MFCD02934296
ZINC000002191869
ZINC000002191872
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