Vitas-M small molecule compound
pentyl 4-{[(2E)-2-cyano-3-{4-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Catalog ID
STK949812
SMILES CCCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OC(=O)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 C29H26N2O5 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5/c1-2-3-7-18-35-28(33)23-12-14-25(15-13-23)31-27(32)24(20-30)19-21-10-16-26(17-11-21)36-29(34)22-8-5-4-6-9-22/h4-6,8-17,19H,2-3,7,18H2,1H3,(H,31,32)/b24-19+InChIKey
FJFCIWMOJBMEER-LYBHJNIJSA-NSynonyms
4((1E)2CYANO2(N(4(PENTYLOXYCARBONYL)PHENYL)CARBAMOYL)VINYL)PHENYLBENZOATE
CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N
CCCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccccc1)C#N
InChI=1SC29H26N2O5c1237183528(33)23121425(151323)3127(32)24(2030)1921101626(171121)3629(34)228546922h4681719H23718H21H3(H3132)b2419+
MFCD02364628
pentyl4(((2E)2cyano3(4((phenylcarbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
PENTYL4(((E)3(4BENZOYLOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
ZINC000006162063
ZINC06162063
ZINC6162063
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