Vitas-M small molecule compound
(2-bromo-4-{(1E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetic acid
Catalog ID
STK185153
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)O)/C(=O)Nc1cccc(c1)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 C19H15BrN2O4 MW 415.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O4/c1-12-3-2-4-15(7-12)22-19(25)14(10-21)8-13-5-6-17(16(20)9-13)26-11-18(23)24/h2-9H,11H2,1H3,(H,22,25)(H,23,24)/b14-8+InChIKey
QJEOMLSWNIRHAT-RIYZIHGNSA-NSynonyms
357985-13-8(2BROMO4((1E)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(2BROMO4((E)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)PHENOXY)ACETICACID
357985138
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)Br)C#N
InChI=1SC19H15BrN2O4c11232415(712)2219(25)14(1021)8135617(16(20)913)261118(23)24h29H11H21H3(H2225)(H2324)b148+
MFCD02611924
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)O)C(=O)Nc1cccc(c1)C
ZINC000009311553
ZINC9311553
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