Vitas-M small molecule compound
propyl 3-{5-[(Z)-{1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL432500
SMILES CCCOC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)C(=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 C26H22N2O7 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7/c1-3-13-34-26(32)18-6-4-5-17(14-18)22-12-11-20(35-22)15-21-23(29)27-28(24(21)30)19-9-7-16(8-10-19)25(31)33-2/h4-12,14-15H,3,13H2,1-2H3,(H,27,29)/b21-15-InChIKey
NYQSSFWAWBJLBI-QNGOZBTKSA-NSynonyms
CCCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)C(=O)OC
CCCOC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(cc1)C(=O)OC
InChI=1SC26H22N2O7c13133426(32)1864517(1418)22121120(3522)152123(29)2728(24(21)30)199716(81019)25(31)332h4121415H313H212H3(H2729)b2115
MFCD03167706
propyl3(5((Z)(1(4(methoxycarbonyl)phenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
propyl3(5((Z)(1(4methoxycarbonylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
ZINC000032099588
ZINC32099588
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