Vitas-M small molecule compound

4-nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzene-1,2-dicarbonitrile

Catalog ID
STK388350
SMILES N#Cc1cc([N+](=O)[O-])c(cc1C#N)N1CC2CC(C1)c1n(C2)c(=O)ccc1

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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 C19H15N5O3 MW 361.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O3/c20-7-13-5-17(18(24(26)27)6-14(13)8-21)22-9-12-4-15(11-22)16-2-1-3-19(25)23(16)10-12/h1-3,5-6,12,15H,4,9-11H2
InChIKey
BMAFYQCEWBHPNE-UHFFFAOYSA-N
Synonyms
355425-78-4
355425784
4nitro5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)phthalonitrile
4nitro5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzene12dicarbonitrile
C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=C(C=C(C(=C4)C#N)C#N)(N+)(=O)(O)
InChI=1SC19H15N5O3c20713517(18(24(26)27)614(13)821)22912415(1122)1621319(25)23(16)1012h13561215H4911H2
MFCD02188910
N#Cc1cc((N+)(=O)(O))c(cc1C#N)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
N#Cc1cc((N+)(=O)(O))c(cc1C#N)N1CC2CC(C1)c1n(C2)c(=O)ccc1
ZINC000004088230

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Available files

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