Vitas-M small molecule compound
3-[(4-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK183002
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1cccc(c1)C(=O)O)/C(=O)Nc1ccc(c(c1)C)C
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-17-7-9-23(11-18(17)2)29-26(30)22(15-28)12-19-8-10-24(25(14-19)33-3)34-16-20-5-4-6-21(13-20)27(31)32/h4-14H,16H2,1-3H3,(H,29,30)(H,31,32)/b22-12+InChIKey
DVUSSRMXHUNMID-WSDLNYQXSA-NSynonyms
3((4((1E)2CYANO3((34DIMETHYLPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)2CYANO3(34DIMETHYLANILINO)3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)C#N)C
InChI=1SC27H24N2O5c1177923(1118(17)2)2926(30)22(1528)121981024(25(1419)333)34162054621(1320)27(31)32h414H16H213H3(H2930)(H3132)b2212+
MFCD04087327
N#CC(=Cc1ccc(c(c1)OC)OCc1cccc(c1)C(=O)O)C(=O)Nc1ccc(c(c1)C)C
ZINC000009262926
ZINC9262926
Check stock
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