Vitas-M small molecule compound
2-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-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
STK686742
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1OC)OC)C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1
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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-35-21-8-3-5-16(25(21)36-2)23-17(13-29)26(31)33(19-6-4-7-20(34)24(19)23)27-18(14-30)22-15-9-11-32(12-10-15)28(22)37-27/h3,5,8,15,23H,4,6-7,9-12,31H2,1-2H3InChIKey
ATBRQXVFSNCJPP-UHFFFAOYSA-NSynonyms
2(2amino3cyano4(23dimethoxyphenyl)5oxo5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
COC1=CC=CC(=C1OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)N6CCC5CC6)C#N)N)C#N
InChI=1SC28H27N5O3Sc1352183516(25(21)362)2317(1329)26(31)33(1964720(34)24(19)23)2718(1430)221591132(121015)28(22)3727h3581523H46791231H212H3
MFCD06017382
ZINC000012371632
ZINC000012371633
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