Vitas-M small molecule compound
4-[(2-chloro-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK089878
SMILES COc1ccc(cc1)NC(=O)/C(=C\c1cc(Cl)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)/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 C26H21ClN2O6 MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O6/c1-33-21-9-7-20(8-10-21)29-25(30)19(14-28)11-17-12-22(27)24(23(13-17)34-2)35-15-16-3-5-18(6-4-16)26(31)32/h3-13H,15H2,1-2H3,(H,29,30)(H,31,32)/b19-11-InChIKey
UXLWZSHVBNWGAF-ODLFYWEKSA-NSynonyms
4((2CHLORO4((1Z)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)METHYL)BENZOICACID
4((2CHLORO4((Z)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)6METHOXYPHENOXY)METHYL)BENZOICACID
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)OC)C#N
COc1ccc(cc1)NC(=O)C(=Cc1cc(Cl)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)C#N
InChI=1SC26H21ClN2O6c133219720(81021)2925(30)19(1428)11171222(27)24(23(1317)342)3515163518(6416)26(31)32h313H15H212H3(H2930)(H3132)b1911
MFCD02052214
STK089878
ZINC000004456518
ZINC4456518
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