Vitas-M small molecule compound
(4E)-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(2-methoxyethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK614915
SMILES COCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCC(C)C)\O)/C(=O)C1=O
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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 C25H28N2O7 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O7/c1-15(2)14-34-20-9-8-18(12-16(20)3)23(28)21-22(17-6-5-7-19(13-17)27(31)32)26(10-11-33-4)25(30)24(21)29/h5-9,12-13,15,22,28H,10-11,14H2,1-4H3/b23-21+InChIKey
GSJNSFWHHOMOIT-XTQSDGFTSA-NSynonyms
498571-69-0(4E)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)1(2methoxyethyl)5(3nitrophenyl)pyrrolidine23dione
498571690
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC(=CC=C3)(N+)(=O)(O))O)OCC(C)C
COCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCC(C)C)O)C(=O)C1=O
InChI=1SC25H28N2O7c115(2)1434209818(1216(20)3)23(28)2122(1765719(1317)27(31)32)26(1011334)25(30)24(21)29h591213152228H101114H214H3b2321+
MFCD08735589
ZINC000102713739
ZINC000102713743
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