Vitas-M small molecule compound

2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK373597
SMILES N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2

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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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c1-9-11(7-19)17(18-12(20-9)3-2-4-14(18)22)10-5-15-16(26-8-25-15)6-13(10)21(23)24/h5-6,17,20H,2-4,8H2,1H3
InChIKey
TTWLFCAICXEYTA-UHFFFAOYSA-N
Synonyms

2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carbonitrile
2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C#N
InChI=1SC18H15N3O5c1911(719)17(1812(209)32414(18)22)1051516(2682515)613(10)21(23)24h561720H248H21H3
MFCD00785480
N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2
ZINC000019805627
ZINC000019805629

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Available files

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