Vitas-M small molecule compound
2-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
Catalog ID
STK053472
SMILES N#Cc1c(CNc2ccccc2C(=O)O)n(c2c1cccc2)C
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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 C18H15N3O2 MW 305.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O2/c1-21-16-9-5-3-6-12(16)14(10-19)17(21)11-20-15-8-4-2-7-13(15)18(22)23/h2-9,20H,11H2,1H3,(H,22,23)InChIKey
AHAFGDDLACCRPS-UHFFFAOYSA-NSynonyms
2(((3CYANO1METHYL1HINDOL2YL)METHYL)AMINO)BENZOICACID
2((3CYANO1METHYLINDOL2YL)METHYLAMINO)BENZOICACID
CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=C3C(=O)O)C#N
InChI=1SC18H15N3O2c12116953612(16)14(1019)17(21)112015842713(15)18(22)23h2920H11H21H3(H2223)
MFCD01898181
N#Cc1c(CNc2ccccc2C(=O)O)n(c2c1cccc2)C
STK053472
ZINC000005588876
ZINC5588876
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