Vitas-M small molecule compound
4-{[(2E)-3-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK014817
SMILES N#C/C(=C\c1ccc(c(c1)Cl)OC)/C(=O)Nc1ccc(cc1)C(=O)O
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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 C18H13ClN2O4 MW 356.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O4/c1-25-16-7-2-11(9-15(16)19)8-13(10-20)17(22)21-14-5-3-12(4-6-14)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b13-8+InChIKey
SRBZBBQKFIFBHC-MDWZMJQESA-NSynonyms
4(((2E)3(3CHLORO4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
4(((E)3(3CHLORO4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)Cl
InChI=1SC18H13ClN2O4c125167211(915(16)19)813(1020)17(22)21145312(4614)18(23)24h29H1H3(H2122)(H2324)b138+
MFCD02609005
N#CC(=Cc1ccc(c(c1)Cl)OC)C(=O)Nc1ccc(cc1)C(=O)O
STK014817
ZINC000002797343
ZINC2797343
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