Vitas-M small molecule compound
ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL174407
SMILES CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1sc2c(c1N)c(cc(n2)C(F)(F)F)c1ccc(cc1)F
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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 C27H23F4N3O3S2 MW 577.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F4N3O3S2/c1-2-37-26(36)20-15-6-4-3-5-7-17(15)38-25(20)34-23(35)22-21(32)19-16(13-8-10-14(28)11-9-13)12-18(27(29,30)31)33-24(19)39-22/h8-12H,2-7,32H2,1H3,(H,34,35)InChIKey
BGNLWBBWFSJWKB-UHFFFAOYSA-NSynonyms
445015-03-2445015032
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C4=C(S3)N=C(C=C4C5=CC=C(C=C5)F)C(F)(F)F)N
ethyl2(((3amino4(4fluorophenyl)6(trifluoromethyl)thieno(23b)pyridin2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((3amino4(4fluorophenyl)6(trifluoromethyl)thieno(23b)pyridine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC27H23F4N3O3S2c123726(36)20156435717(15)3825(20)3423(35)2221(32)1916(1381014(28)11913)1218(27(2930)31)3324(19)3922h812H2732H21H3(H3435)
MFCD02608082
ZINC000008450497
ZINC08450497
ZINC8450497
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