Vitas-M small molecule compound
(2E)-3-(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-ethylprop-2-enamide
Catalog ID
STK823840
SMILES CCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)/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 C28H23ClN4O2 MW 482.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN4O2/c1-2-31-28(34)22(17-30)16-23-18-33(25-6-4-3-5-7-25)32-27(23)21-10-14-26(15-11-21)35-19-20-8-12-24(29)13-9-20/h3-16,18H,2,19H2,1H3,(H,31,34)/b22-16+InChIKey
ZAOUINRYPNNQIE-CJLVFECKSA-NSynonyms
(2E)3(3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2cyanoNethylprop2enamide
(E)3(3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)2CYANONETHYLPROP2ENAMIDE
CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N
CCNC(=O)C(=Cc1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)C#N
InChI=1SC28H23ClN4O2c123128(34)22(1730)16231833(256435725)3227(23)21101426(151121)35192081224(29)13920h31618H219H21H3(H3134)b2216+
MFCD18075726
ZINC000028627984
ZINC28627984
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