Vitas-M small molecule compound

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

Catalog ID
STK179453
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(Br)c(c(c1)OC)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 C21H19BrN2O6 MW 475.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O6/c1-3-29-16-6-4-15(5-7-16)24-21(27)14(11-23)8-13-9-17(22)20(18(10-13)28-2)30-12-19(25)26/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/b14-8-
InChIKey
VYYKMZMDZANQIM-ZSOIEALJSA-N
Synonyms
358293-02-4
(2BROMO4((1Z)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)ACETICACID
2(2bromo4((Z)2cyano3(4ethoxyanilino)3oxoprop1enyl)6methoxyphenoxy)aceticacid
2(4((1Z)2CYANO2(N(4ETHOXYPHENYL)CARBAMOYL)VINYL)2BROMO6METHOXYPHENOXY)ACETICACID
358293024
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC(=O)O)OC)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCC(=O)O)C#N
InChI=1SC21H19BrN2O6c1329166415(5716)2421(27)14(1123)813917(22)20(18(1013)282)301219(25)26h410H312H212H3(H2427)(H2526)b148
MFCD02940815
ZINC000012411868
ZINC12411868

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Available files

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