Vitas-M small molecule compound
methyl 2-({[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL176215
SMILES COC(=O)c1c(NC(=O)c2sc3c(c2N)c2CCCCc2c(n3)C(F)(F)F)sc(c1C)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 C21H20F3N3O3S2 MW 483.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O3S2/c1-8-9(2)31-18(12(8)20(29)30-3)27-17(28)15-14(25)13-10-6-4-5-7-11(10)16(21(22,23)24)26-19(13)32-15/h4-7,25H2,1-3H3,(H,27,28)InChIKey
UHGUPXHQONPAFQ-UHFFFAOYSA-NSynonyms
445017-55-0445017550
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)C(F)(F)F)N)C
InChI=1SC21H20F3N3O3S2c189(2)3118(12(8)20(29)303)2717(28)1514(25)1310645711(10)16(21(2223)24)2619(13)3215h4725H213H3(H2728)
methyl2(((1amino5(trifluoromethyl)6789tetrahydrothieno(23c)isoquinolin2yl)carbonyl)amino)45dimethylthiophene3carboxylate
methyl2((1amino5(trifluoromethyl)6789tetrahydrothieno(23c)isoquinoline2carbonyl)amino)45dimethylthiophene3carboxylate
MFCD03073009
ZINC000002763131
ZINC02763131
ZINC2763131
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