Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK780204
SMILES COc1ccc(cc1)C1CC(=O)N(C2=C1C(=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 C25H24N2O3S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O3S/c1-30-16-11-9-15(10-12-16)18-13-23(29)27(20-6-4-7-21(28)24(18)20)25-19(14-26)17-5-2-3-8-22(17)31-25/h9-12,18H,2-8,13H2,1H3InChIKey
YHTBTTRBHANPDE-UHFFFAOYSA-NSynonyms
2(4(4methoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(4methoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N
InChI=1SC25H24N2O3Sc1301611915(101216)181323(29)27(2064721(28)24(18)20)2519(1426)17523822(17)3125h91218H2813H21H3
MFCD05859982
ZINC000001430892
ZINC000001430893
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