Vitas-M small molecule compound

(4E)-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione

Catalog ID
STK856087
SMILES COCCCN1C(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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-16(2)15-35-21-10-9-19(13-17(21)3)24(29)22-23(18-7-5-8-20(14-18)28(32)33)27(11-6-12-34-4)26(31)25(22)30/h5,7-10,13-14,16,23,29H,6,11-12,15H2,1-4H3/b24-22+
InChIKey
RFLDJSVZNPQNTL-ZNTNEXAZSA-N
Synonyms
433260-12-9
(4E)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)1(3methoxypropyl)5(3nitrophenyl)pyrrolidine23dione
3HYDROXY1(3METHOXYPROPYL)4((3METHYL4(2METHYLPROPOXY)PHENYL)CARBONYL)5(3NITROPHENYL)25DIHYDRO1HPYRROL2ONE
433260129
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CC(=CC=C3)(N+)(=O)(O))O)OCC(C)C
COCCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCC(C)C)O)C(=O)C1=O
InChI=1SC26H30N2O7c116(2)15352110919(1317(21)3)24(29)2223(1875820(1418)28(32)33)27(11612344)26(31)25(22)30h57101314162329H6111215H214H3b2422+
MFCD09790037
ZINC000102804902
ZINC000102804905

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Available files

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