Vitas-M small molecule compound
ethyl 4-(5-{(Z)-[1-(5-chloro-2-nitrophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL431357
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1cc(Cl)ccc1[N+](=O)[O-])C
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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 C24H18ClN3O6 MW 479.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O6/c1-3-33-24(30)16-6-4-15(5-7-16)22-11-9-18(34-22)13-19-14(2)26-27(23(19)29)21-12-17(25)8-10-20(21)28(31)32/h4-13H,3H2,1-2H3/b19-13-InChIKey
CRPLHSLRMWRRRL-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=C(C=CC(=C4)Cl)(N+)(=O)(O))C
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1cc(Cl)ccc1(N+)(=O)(O))C
ethyl4(5((Z)(1(5chloro2nitrophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
ethyl4(5((Z)(1(5chloro2nitrophenyl)3methyl5oxopyrazol4ylidene)methyl)furan2yl)benzoate
InChI=1SC24H18ClN3O6c133324(30)166415(5716)2211918(3422)131914(2)2627(23(19)29)211217(25)81020(21)28(31)32h413H3H212H3b1913
MFCD03307274
ZINC000032099584
ZINC32099584
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