Vitas-M small molecule compound

3-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)ammonio]benzoate

Catalog ID
STK588920
SMILES Cc1nc([NH2+]c2cccc(c2)C(=O)[O-])c2c(n1)c1ccccc1o2

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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 C18H13N3O3 MW 319.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O3/c1-10-19-15-13-7-2-3-8-14(13)24-16(15)17(20-10)21-12-6-4-5-11(9-12)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
InChIKey
NORZKZDJAXJQSC-UHFFFAOYSA-N
Synonyms
845805-33-6
3((2METHYL(1)BENZOFURO(32D)PYRIMIDIN4YL)AMINO)BENZOICACID
3((2methyl(1)benzofuro(32d)pyrimidin4yl)ammonio)benzoate
3((2methyl(1)benzofuro(32d)pyrimidin4yl)azaniumyl)benzoate
845805336
CC1=NC2=C(C(=N1)(NH2+)C3=CC=CC(=C3)C(=O)(O))OC4=CC=CC=C42
Cc1nc((NH2+)c2cccc(c2)C(=O)(O))c2c(n1)c1ccccc1o2
InChI=1SC18H13N3O3c110191513723814(13)2416(15)17(2010)211264511(912)18(22)23h29H1H3(H2223)(H192021)
MFCD04170734
ZINC000005243968
ZINC5243968

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Available files

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