Vitas-M small molecule compound

(2-bromo-6-chloro-4-{(1Z)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetic acid

Catalog ID
STK179455
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(Cl)c(c(c1)Br)OCC(=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 C20H16BrClN2O5 MW 479.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O5/c1-2-28-15-5-3-14(4-6-15)24-20(27)13(10-23)7-12-8-16(21)19(17(22)9-12)29-11-18(25)26/h3-9H,2,11H2,1H3,(H,24,27)(H,25,26)/b13-7-
InChIKey
BWHBFUGEELPDJV-QPEQYQDCSA-N
Synonyms
358317-89-2
(2BROMO6CHLORO4((1Z)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(2bromo6chloro4((Z)2cyano3(4ethoxyanilino)3oxoprop1enyl)phenoxy)aceticacid
2(4((1Z)2CYANO2(N(4ETHOXYPHENYL)CARBAMOYL)VINYL)2BROMO6CHLOROPHENOXY)ACETICACID
358317892
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC(=O)O)Cl)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(Cl)c(c(c1)Br)OCC(=O)O)C#N
InChI=1SC20H16BrClN2O5c1228155314(4615)2420(27)13(1023)712816(21)19(17(22)912)291118(25)26h39H211H21H3(H2427)(H2526)b137
MFCD02940813
ZINC000008780927
ZINC8780927

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Available files

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