Vitas-M small molecule compound
(4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STK180955
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C(/C(=O)Nc1cccc(c1)Br)\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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-2-27-18-9-13(6-7-17(18)28-12-19(24)25)8-14(11-22)20(26)23-16-5-3-4-15(21)10-16/h3-10H,2,12H2,1H3,(H,23,26)(H,24,25)/b14-8+InChIKey
XNFCXKRQCGODPW-RIYZIHGNSA-NSynonyms
(4((1E)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2ETHOXYPHENOXY)ACETICACID
2(4((E)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)2ETHOXYPHENOXY)ACETICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C(C(=O)Nc1cccc(c1)Br)C#N
InChI=1SC20H17BrN2O5c122718913(6717(18)281219(24)25)814(1122)20(26)231653415(21)1016h310H212H21H3(H2326)(H2425)b148+
MFCD05039726
ZINC000019869045
ZINC19869045
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