Vitas-M small molecule compound
ethyl 2-[({[3-cyano-4-(furan-2-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL177991
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(cc(c2C#N)c2ccco2)C(F)(F)F)sc2c1CCC(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 C25H22F3N3O4S2 MW 549.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3N3O4S2/c1-3-34-24(33)21-14-7-6-13(2)9-18(14)37-23(21)31-20(32)12-36-22-16(11-29)15(17-5-4-8-35-17)10-19(30-22)25(26,27)28/h4-5,8,10,13H,3,6-7,9,12H2,1-2H3,(H,31,32)InChIKey
KUKGFDRWVLECJW-UHFFFAOYSA-NSynonyms
832140-68-8832140688
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=C(C(=CC(=N3)C(F)(F)F)C4=CC=CO4)C#N
ethyl2((((3cyano4(furan2yl)6(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(3cyano4(furan2yl)6(trifluoromethyl)pyridin2yl)sulfanylacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H22F3N3O4S2c133424(33)21147613(2)918(14)3723(21)3120(32)12362216(1129)15(175483517)1019(3022)25(2627)28h4581013H367912H212H3(H3132)
MFCD04136487
ZINC000002806858
ZINC000002806859
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