Vitas-M small molecule compound
ethyl 4-[(4Z)-3-methyl-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK742521
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C1=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 C24H20N4O5 MW 444.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5/c1-3-33-24(30)17-6-8-19(9-7-17)27-23(29)22(16(2)25-27)15-21-5-4-14-26(21)18-10-12-20(13-11-18)28(31)32/h4-15H,3H2,1-2H3/b22-15-InChIKey
YKAKKMJHCJQYME-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O))C(=N2)C
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C1=O)C
ethyl4((4Z)3methyl4((1(4nitrophenyl)1Hpyrrol2yl)methylidene)5oxo45dihydro1Hpyrazol1yl)benzoate
ETHYL4((4Z)3METHYL4((1(4NITROPHENYL)PYRROL2YL)METHYLIDENE)5OXOPYRAZOL1YL)BENZOATE
InChI=1SC24H20N4O5c133324(30)176819(9717)2723(29)22(16(2)2527)1521541426(21)18101220(131118)28(31)32h415H3H212H3b2215
MFCD02909383
ZINC000032099594
ZINC32099594
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