Vitas-M small molecule compound
2-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Catalog ID
STK687451
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1)C#N
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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 C27H25N5OS2 MW 499.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS2/c1-34-17-7-5-15(6-8-17)22-18(13-28)25(30)32(20-3-2-4-21(33)24(20)22)26-19(14-29)23-16-9-11-31(12-10-16)27(23)35-26/h5-8,16,22H,2-4,9-12,30H2,1H3InChIKey
ZOYWLLKIWRHEED-UHFFFAOYSA-NSynonyms
2(2amino3cyano4(4(methylsulfanyl)phenyl)5oxo5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)N6CCC5CC6)C#N)N)C#N
InChI=1SC27H25N5OS2c134177515(6817)2218(1328)25(30)32(2032421(33)24(20)22)2619(1429)231691131(121016)27(23)3526h581622H2491230H21H3
MFCD06618877
ZINC000012371893
ZINC000012371894
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