Vitas-M small molecule compound
3-{2-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK100757
SMILES COCCOC(=O)/C(=C/c1cccn1c1cccc(c1)C(=O)O)/C#N
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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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-24-8-9-25-18(23)14(12-19)11-16-6-3-7-20(16)15-5-2-4-13(10-15)17(21)22/h2-7,10-11H,8-9H2,1H3,(H,21,22)/b14-11+InChIKey
XAVYKHRDJYCACY-SDNWHVSQSA-NSynonyms
3(2((1E)2CYANO3(2METHOXYETHOXY)3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)2CYANO3(2METHOXYETHOXY)3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
COCCOC(=O)C(=CC1=CC=CN1C2=CC=CC(=C2)C(=O)O)C#N
COCCOC(=O)C(=Cc1cccn1c1cccc(c1)C(=O)O)C#N
InChI=1SC18H16N2O5c124892518(23)14(1219)111663720(16)1552413(1015)17(21)22h271011H89H21H3(H2122)b1411+
MFCD04126827
ZINC000004674081
ZINC4674081
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