Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK760573
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C)c1sc2c(c1C(=O)OC)CCCC2
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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 C28H28FN3O3S MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN3O3S/c1-28(2)12-19-24(20(33)13-28)22(15-8-10-16(29)11-9-15)18(14-30)25(31)32(19)26-23(27(34)35-3)17-6-4-5-7-21(17)36-26/h8-11,22H,4-7,12-13,31H2,1-3H3InChIKey
QKOUPKYSHNSZAZ-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C(=O)OC)N)C#N)C5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC28H28FN3O3Sc128(2)121924(20(33)1328)22(1581016(29)11915)18(1430)25(31)32(19)2623(27(34)353)17645721(17)3626h81122H47121331H213H3
methyl2(2amino3cyano4(4fluorophenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino3cyano4(4fluorophenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01821955
ZINC000003669226
ZINC000003669227
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