Vitas-M small molecule compound

1-amino-3-(4-methoxy-3-nitrophenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

Catalog ID
STK394085
SMILES N#Cc1c(c2ccc(c(c2)[N+](=O)[O-])OC)c(C#N)c2n(c1N)c1ccccc1n2

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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 C20H12N6O3 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N6O3/c1-29-17-7-6-11(8-16(17)26(27)28)18-12(9-21)19(23)25-15-5-3-2-4-14(15)24-20(25)13(18)10-22/h2-8H,23H2,1H3
InChIKey
TUYYBCKBOJVDIS-UHFFFAOYSA-N
Synonyms

1amino3(4methoxy3nitrophenyl)pyrido(12a)benzimidazole24dicarbonitrile
4AMINO2(4METHOXY3NITROPHENYL)5HYDROPYRIDINO(12A)BENZIMIDAZOLE13DICARBONITRILE
COC1=C(C=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N)(N+)(=O)(O)
InChI=1SC20H12N6O3c129177611(816(17)26(27)28)1812(921)19(23)2515532414(15)2420(25)13(18)1022h28H23H21H3
MFCD03703947
N#Cc1c(c2ccc(c(c2)(N+)(=O)(O))OC)c(C#N)c2n(c1N)c1ccccc1n2
ZINC000001185694
ZINC01185694
ZINC1185694

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Available files

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