Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757988
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2
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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 C28H27FN4OS MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN4OS/c1-28(2)12-21-25(22(34)13-28)24(16-8-10-17(29)11-9-16)20(15-31)26(32)33(21)27-19(14-30)18-6-4-3-5-7-23(18)35-27/h8-11,24H,3-7,12-13,32H2,1-2H3InChIKey
XRIVHSHBGSNELZ-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4fluorophenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC28H27FN4OSc128(2)122125(22(34)1328)24(1681017(29)11916)20(1531)26(32)33(21)2719(1430)186435723(18)3527h81124H37121332H212H3
MFCD01305349
ZINC000002188865
ZINC000002188866
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