Vitas-M small molecule compound
3-{[(2E)-2-cyano-3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoic acid
Catalog ID
STK522679
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C)/C(=O)Nc1cccc(c1)C(=O)O
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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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-17-6-8-18(9-7-17)16-33-23-11-10-19(13-24(23)32-2)12-21(15-27)25(29)28-22-5-3-4-20(14-22)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/b21-12+InChIKey
UMASFEDIHMXBAY-CIAFOILYSA-NSynonyms
3(((2E)2cyano3(3methoxy4((4methylbenzyl)oxy)phenyl)prop2enoyl)amino)benzoicacid
3(((E)2CYANO3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)1OXOPROP2ENYL)AMINO)BENZOICACID
3(((E)2CYANO3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
3(((E)2CYANO3(3METHOXY4(4METHYLBENZYL)OXYPHENYL)ACRYLOYL)AMINO)BENZOICACID
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC
InChI=1SC26H22N2O5c1176818(9717)163323111019(1324(23)322)1221(1527)25(29)282253420(1422)26(30)31h314H16H212H3(H2829)(H3031)b2112+
MFCD03155005
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=O)Nc1cccc(c1)C(=O)O
ZINC000001438731
ZINC1438731
Check stock
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