Vitas-M small molecule compound
4-({4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-5-bromo-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK010686
SMILES N#C/C(=C/c1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)/C(=O)NCc1ccccc1
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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 C26H21BrN2O5 MW 521.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O5/c1-33-23-12-20(11-21(14-28)25(30)29-15-17-5-3-2-4-6-17)22(27)13-24(23)34-16-18-7-9-19(10-8-18)26(31)32/h2-13H,15-16H2,1H3,(H,29,30)(H,31,32)/b21-11-InChIKey
NWFZFABOMBMURZ-NHDPSOOVSA-NSynonyms
4((4((1Z)2CYANO2(NBENZYLCARBAMOYL)VINYL)5BROMO2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((1Z)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)5BROMO2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)3(benzylamino)2cyano3oxoprop1enyl)5bromo2methoxyphenoxy)methyl)benzoicacid
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC26H21BrN2O5c133231220(1121(1428)25(30)2915175324617)22(27)1324(23)3416187919(10818)26(31)32h213H1516H21H3(H2930)(H3132)b2111
MFCD02194442
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)C(=O)NCc1ccccc1
STK010686
ZINC000100197397
ZINC100197397
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