Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-chlorophenyl)methanolate
Catalog ID
STL037148
SMILES Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[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 C28H33ClN2O4 MW 497.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33ClN2O4/c1-28(2,3)21-9-5-19(6-10-21)24-23(25(32)20-7-11-22(29)12-8-20)26(33)27(34)31(24)14-4-13-30-15-17-35-18-16-30/h5-12,24,32H,4,13-18H2,1-3H3/b25-23+InChIKey
WTVFEBCUBVLXKU-WJTDDFOZSA-NSynonyms
488096-48-6(4E)5(4TERTBUTYLPHENYL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4chlorophenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4CHLOROPHENYL)METHANOLATE
488096486
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
Clc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H33ClN2O4c128(23)219519(61021)2423(25(32)2071122(29)12820)26(33)27(34)31(24)1441330151735181630h5122432H41318H213H3b2523+
MFCD18247371
ZINC000009041780
ZINC000009135591
Check stock
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Check stock on Vitas-MAvailable files
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