Vitas-M small molecule compound
3-[(2-chloro-4-{(1Z)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STL376475
SMILES N#C/C(=C/c1ccc(c(c1)Cl)OCc1cccc(c1)C(=O)O)/C(=O)Nc1ccc(cc1)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 C24H17ClN2O5 MW 448.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O5/c25-21-12-15(10-18(13-26)23(29)27-19-5-7-20(28)8-6-19)4-9-22(21)32-14-16-2-1-3-17(11-16)24(30)31/h1-12,28H,14H2,(H,27,29)(H,30,31)/b18-10-InChIKey
CLORGKNJMUHRAZ-ZDLGFXPLSA-NSynonyms
3((2chloro4((1Z)2cyano3((4hydroxyphenyl)amino)3oxoprop1en1yl)phenoxy)methyl)benzoicacid
3((2chloro4((Z)2cyano3(4hydroxyanilino)3oxoprop1enyl)phenoxy)methyl)benzoicacid
3((4((1Z)2CYANO2(N(4HYDROXYPHENYL)CARBAMOYL)VINYL)2CHLOROPHENOXY)METHYL)BENZOICACID
C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)O)Cl)C(=O)O
InChI=1SC24H17ClN2O5c25211215(1018(1326)23(29)27195720(28)8619)4922(21)32141621317(1116)24(30)31h11228H14H2(H2729)(H3031)b1810
MFCD08532682
N#CC(=Cc1ccc(c(c1)Cl)OCc1cccc(c1)C(=O)O)C(=O)Nc1ccc(cc1)O
ZINC000016386312
ZINC16386312
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