Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Catalog ID
STK779775
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CCCC2=O)c1ccc2c(c1)OCO2

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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 C26H24N2O4S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4S/c27-13-18-16-5-2-1-3-8-23(16)33-26(18)28-19-6-4-7-20(29)25(19)17(12-24(28)30)15-9-10-21-22(11-15)32-14-31-21/h9-11,17H,1-8,12,14H2
InChIKey
KQDMNXRBFHLMLU-UHFFFAOYSA-N
Synonyms

2(4(13benzodioxol5yl)25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(13benzodioxol5yl)25dioxo4678tetrahydro3Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(C(CC3=O)C5=CC6=C(C=C5)OCO6)C(=O)CCC4
InChI=1SC26H24N2O4Sc271318165213823(16)3326(18)281964720(29)25(19)17(1224(28)30)159102122(1115)32143121h91117H181214H2
MFCD05859147
ZINC000001430162
ZINC000001430163

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Available files

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