Vitas-M small molecule compound
2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK780125
SMILES COc1ccc(c(c1)OC)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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-31-15-10-11-16(22(12-15)32-2)18-13-24(30)28(20-7-5-8-21(29)25(18)20)26-19(14-27)17-6-3-4-9-23(17)33-26/h10-12,18H,3-9,13H2,1-2H3InChIKey
XROGAVVMKSBCRD-UHFFFAOYSA-NSynonyms
2(4(24dimethoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(24dimethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=CC(=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)OC
InChI=1SC26H26N2O4Sc13115101116(22(1215)322)181324(30)28(2075821(29)25(18)20)2619(1427)17634923(17)3326h101218H3913H212H3
MFCD05859769
ZINC000001430777
ZINC000001430778
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