Vitas-M small molecule compound
methyl 2-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK522812
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)Cl)/C(=O)Nc1ccccc1C(=O)OC
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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/c1-32-24-14-18(9-12-23(24)34-16-17-7-10-20(27)11-8-17)13-19(15-28)25(30)29-22-6-4-3-5-21(22)26(31)33-2/h3-14H,16H2,1-2H3,(H,29,30)/b19-13+InChIKey
KLDBPGUGULSCKR-CPNJWEJPSA-NSynonyms
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)Cl
InChI=1SC26H21ClN2O5c132241418(91223(24)34161771020(27)11817)1319(1528)25(30)2922643521(22)26(31)332h314H16H212H3(H2930)b1913+
methyl2(((2E)3(4((4chlorobenzyl)oxy)3methoxyphenyl)2cyanoprop2enoyl)amino)benzoate
METHYL2(((E)3(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
MFCD03155225
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)Cl)C(=O)Nc1ccccc1C(=O)OC
ZINC000001439533
ZINC01439533
ZINC1439533
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