Vitas-M small molecule compound
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK759526
SMILES N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c1-34-21-11-15(12-22(35-2)26(21)36-3)24-18(14-30)27(31)32(19-8-6-9-20(33)25(19)24)28-17(13-29)16-7-4-5-10-23(16)37-28/h11-12,24H,4-10,31H2,1-3H3InChIKey
NFBOGPPHORNBJC-UHFFFAOYSA-NSynonyms
2amino1(3cyano4567tetrahydro1benzothiophen2yl)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2amino1(3cyano4567tetrahydro1benzothiophen2yl)5oxo4(345trimethoxyphenyl)4678tetrahydroquinoline3carbonitrile
COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)N)C#N
InChI=1SC28H28N4O4Sc134211115(1222(352)26(21)363)2418(1430)27(31)32(1986920(33)25(19)24)2817(1329)167451023(16)3728h111224H41031H213H3
MFCD01461684
ZINC000000714784
ZINC000000714785
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