Vitas-M small molecule compound
ethyl 4-[(2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]acryloyl)amino]benzoate
Catalog ID
STK821026
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1cn(nc1c1ccc(cc1)C)c1ccccc1)/C(=O)Nc1ccc(cc1)C(=O)OCC
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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 C38H34N4O6 MW 642.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N4O6/c1-4-47-37(45)27-15-19-30(20-16-27)39-35(43)33(36(44)40-31-21-17-28(18-22-31)38(46)48-5-2)23-29-24-42(32-9-7-6-8-10-32)41-34(29)26-13-11-25(3)12-14-26/h6-24H,4-5H2,1-3H3,(H,39,43)(H,40,44)InChIKey
ZINLSZGTDQCPGW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)OCC
ethyl4((2((4(ethoxycarbonyl)phenyl)carbamoyl)3(3(4methylphenyl)1phenyl1Hpyrazol4yl)acryloyl)amino)benzoate
ethyl4((2((4ethoxycarbonylphenyl)carbamoyl)3(3(4methylphenyl)1phenylpyrazol4yl)prop2enoyl)amino)benzoate
InChI=1SC38H34N4O6c144737(45)27151930(201627)3935(43)33(36(44)4031211728(182231)38(46)4852)23292442(3297681032)4134(29)26131125(3)121426h624H45H213H3(H3943)(H4044)
MFCD03462549
ZINC000150480670
ZINC150480670
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.