Vitas-M small molecule compound
2-[2-amino-3-cyano-4-(3-nitrophenyl)-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
STK687450
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])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 C26H22N6O3S MW 498.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O3S/c27-12-17-21(15-3-1-4-16(11-15)32(34)35)23-19(5-2-6-20(23)33)31(24(17)29)25-18(13-28)22-14-7-9-30(10-8-14)26(22)36-25/h1,3-4,11,14,21H,2,5-10,29H2InChIKey
DFGFNQURKCAVHE-UHFFFAOYSA-NSynonyms
2(2amino3cyano4(3nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C4=C(S3)N5CCC4CC5)C#N)N)C#N)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1
InChI=1SC26H22N6O3Sc27121721(1531416(1115)32(34)35)2319(52620(23)33)31(24(17)29)2518(1328)22147930(10814)26(22)3625h134111421H251029H2
MFCD06618876
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1
ZINC000012428880
ZINC000012428881
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