Vitas-M small molecule compound

butyl 4-({(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)benzoate

Catalog ID
STK949421
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1cccc(c1)Cl)/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 C25H21ClN2O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4/c1-2-3-13-31-25(30)17-7-9-21(10-8-17)28-24(29)19(16-27)15-22-11-12-23(32-22)18-5-4-6-20(26)14-18/h4-12,14-15H,2-3,13H2,1H3,(H,28,29)/b19-15+
InChIKey
VFYSTDNAAHRLQV-XDJHFCHBSA-N
Synonyms

butyl4(((2E)3(5(3chlorophenyl)furan2yl)2cyanoprop2enoyl)amino)benzoate
BUTYL4(((E)3(5(3CHLOROPHENYL)FURAN2YL)2CYANOPROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)3(5(3CHLOROPHENYL)(2FURYL))2CYANOPROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1cccc(c1)Cl)C#N
InChI=1SC25H21ClN2O4c123133125(30)177921(10817)2824(29)19(1627)1522111223(3222)1854620(26)1418h4121415H2313H21H3(H2829)b1915+
MFCD02354072
ZINC000001769763
ZINC01769763
ZINC1769763

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Available files

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