Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758653
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)c1sc2c(c1C#N)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 C25H21N5O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O3S/c26-12-17-16-4-1-2-7-21(16)34-25(17)29-19-5-3-6-20(31)23(19)22(18(13-27)24(29)28)14-8-10-15(11-9-14)30(32)33/h8-11,22H,1-7,28H2InChIKey
FIFUDFHSDNFKIH-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CCC4)C#N
InChI=1SC25H21N5O3Sc26121716412721(16)3425(17)291953620(31)23(19)22(18(1327)24(29)28)1481015(11914)30(32)33h81122H1728H2
MFCD01460103
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C#N)CCCC2
ZINC000003666917
ZINC000003666918
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