Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758646
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)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 C27H28N4OS2 MW 488.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS2/c1-27(2,3)22-12-11-21(33-22)23-17(14-29)25(30)31(18-8-6-9-19(32)24(18)23)26-16(13-28)15-7-4-5-10-20(15)34-26/h11-12,23H,4-10,30H2,1-3H3InChIKey
UGFFRFAFEGBPBS-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)1(3cyano4567tetrahydro1benzothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)1(3cyano4567tetrahydro1benzothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC(C)(C)C1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)N)C#N
InChI=1SC27H28N4OS2c127(23)22121121(3322)2317(1429)25(30)31(1886919(32)24(18)23)2616(1328)157451020(15)3426h111223H41030H213H3
MFCD01460096
ZINC000002380193
ZINC000003666907
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