Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148463
SMILES O=C1C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)[N+](=O)[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 C32H33N3O7 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O7/c1-22-20-25(10-13-27(22)42-21-23-6-3-2-4-7-23)30(36)28-29(24-8-11-26(12-9-24)35(39)40)34(32(38)31(28)37)15-5-14-33-16-18-41-19-17-33/h2-4,6-13,20,29,36H,5,14-19,21H2,1H3/b30-28+InChIKey
WZRXHGVHHGHLSD-SJCQXOIGSA-NSynonyms
(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(3METHYL4PHENYLMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)(N+)(=O)(O))O)OCC5=CC=CC=C5
InChI=1SC32H33N3O7c1222025(101327(22)4221236324723)30(36)2829(2481126(12924)35(39)40)34(32(38)31(28)37)1551433161841191733h24613202936H5141921H21H3b3028+
MFCD20755404
O=C1C(=O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000102928027
ZINC000102928030
Check stock
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Check stock on Vitas-MAvailable files
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