Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-chlorophenyl)methanolate
Catalog ID
STL149615
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[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 C27H31ClN2O4 MW 483.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O4/c1-27(2,3)20-8-4-18(5-9-20)23-22(24(31)19-6-10-21(28)11-7-19)25(32)26(33)30(23)13-12-29-14-16-34-17-15-29/h4-11,23,31H,12-17H2,1-3H3/b24-22+InChIKey
GLRJNXJIMFVQPD-ZNTNEXAZSA-NSynonyms
487024-73-7(4E)5(4TERTBUTYLPHENYL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4chlorophenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4CHLOROPHENYL)METHANOLATE
487024737
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCN4CCOCC4
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)1CCOCC1)(O)
InChI=1SC27H31ClN2O4c127(23)208418(5920)2322(24(31)1961021(28)11719)25(32)26(33)30(23)131229141634171529h4112331H1217H213H3b2422+
MFCD20755638
ZINC000102929829
ZINC000102929830
Check stock
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Check stock on Vitas-MAvailable files
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