Vitas-M small molecule compound
(5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK182564
SMILES N#C/C(=C/c1cc(OC)c(cc1Br)OCC(=O)O)/C(=O)Nc1ccc(cc1)OC
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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 C20H17BrN2O6 MW 461.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O6/c1-27-15-5-3-14(4-6-15)23-20(26)13(10-22)7-12-8-17(28-2)18(9-16(12)21)29-11-19(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b13-7-InChIKey
VZBXTGKQXYRJIK-QPEQYQDCSA-NSynonyms
(5BROMO4((1Z)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETICACID
2(5BROMO4((Z)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)2METHOXYPHENOXY)ACETICACID
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)O)OC)C#N
InChI=1SC20H17BrN2O6c127155314(4615)2320(26)13(1022)712817(282)18(916(12)21)291119(24)25h39H11H212H3(H2326)(H2425)b137
MFCD02052260
N#CC(=Cc1cc(OC)c(cc1Br)OCC(=O)O)C(=O)Nc1ccc(cc1)OC
ZINC000009311010
ZINC9311010
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