Vitas-M small molecule compound

2-[2,5-dioxo-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK780122
SMILES COc1cc(cc(c1OC)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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-32-21-11-15(12-22(33-2)26(21)34-3)17-13-24(31)29(19-8-6-9-20(30)25(17)19)27-18(14-28)16-7-4-5-10-23(16)35-27/h11-12,17H,4-10,13H2,1-3H3
InChIKey
NMTKCGMAEJIZJZ-UHFFFAOYSA-N
Synonyms

2(25dioxo4(345trimethoxyphenyl)345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(25dioxo4(345trimethoxyphenyl)4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N
InChI=1SC27H28N2O5Sc132211115(1222(332)26(21)343)171324(31)29(1986920(30)25(17)19)2718(1428)167451023(16)3527h111217H41013H213H3
MFCD05859766
ZINC000001430771
ZINC000001430772

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Available files

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