Vitas-M small molecule compound

methyl (5E)-2-methyl-1-(4-methylphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK362250
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)c1ccc(cc1)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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c1-15-7-9-18(10-8-15)26-16(2)23(25(29)32-3)24(28)21(26)14-20-11-12-22(33-20)17-5-4-6-19(13-17)27(30)31/h4-14H,1-3H3/b21-14+
InChIKey
KAHOQLSJMYOJGP-KGENOOAVSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=C(C(=O)C2=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC)C
COC(=O)C1=C(C)N(C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O)c1ccc(cc1)C
InChI=1SC25H20N2O6c1157918(10815)2616(2)23(25(29)323)24(28)21(26)1420111222(3320)1754619(1317)27(30)31h414H13H3b2114+
METHYL(5E)2METHYL1(4METHYLPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)2METHYL1(4METHYLPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)4OXOPYRROLE3CARBOXYLATE
METHYL5((5(3NITROPHENYL)2FURYL)METHYLENE)2METHYL1(4METHYLPHENYL)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL5METHYL1(4METHYLPHENYL)2((5(3NITROPHENYL)(2FURYL))METHYLENE)3OXOAZOLINE4CARBOXYLATE
MFCD02920627
ZINC000008450431
ZINC08450431
ZINC8450431

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Available files

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