Vitas-M small molecule compound
4-[(4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid
Catalog ID
STK186405
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C(\C(=O)Nc1ccc(cc1)Cl)/C#N
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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 C26H21ClN2O5 MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5/c1-2-33-24-14-18(13-20(15-28)25(30)29-22-10-8-21(27)9-11-22)5-12-23(24)34-16-17-3-6-19(7-4-17)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)/b20-13-InChIKey
ACLMRDAIRGSXRF-MOSHPQCFSA-NSynonyms
4((4((1Z)2(N(4CHLOROPHENYL)CARBAMOYL)2CYANOVINYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((1Z)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)O
CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C(C(=O)Nc1ccc(cc1)Cl)C#N
InChI=1SC26H21ClN2O5c1233241418(1320(1528)25(30)292210821(27)91122)51223(24)3416173619(7417)26(31)32h314H216H21H3(H2930)(H3132)b2013
MFCD02052199
ZINC000015685478
ZINC15685478
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