Vitas-M small molecule compound
4-[(4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-iodo-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK185243
SMILES N#C/C(=C\c1cc(I)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(c(c1)Cl)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 C26H20ClIN2O5 MW 602.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClIN2O5/c1-15-3-8-20(12-21(15)27)30-25(31)19(13-29)9-17-10-22(28)24(23(11-17)34-2)35-14-16-4-6-18(7-5-16)26(32)33/h3-12H,14H2,1-2H3,(H,30,31)(H,32,33)/b19-9+InChIKey
IOZAHDDTQYEPSC-DJKKODMXSA-NSynonyms
4((4((1E)3((3CHLORO4METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2IODO6METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)3(3chloro4methylanilino)2cyano3oxoprop1enyl)2iodo6methoxyphenoxy)methyl)benzoicacid
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)C(=O)O)OC)C#N)Cl
InChI=1SC26H20ClIN2O5c1153820(1221(15)27)3025(31)19(1329)9171022(28)24(23(1117)342)3514164618(7516)26(32)33h312H14H212H3(H3031)(H3233)b199+
MFCD03729373
N#CC(=Cc1cc(I)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(c(c1)Cl)C
ZINC000097960759
ZINC97960759
Check stock
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