Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STL150955
SMILES COc1ccc(cc1Cl)/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 C28H33ClN2O5 MW 513.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33ClN2O5/c1-28(2,3)20-8-5-18(6-9-20)24-23(25(32)19-7-10-22(35-4)21(29)17-19)26(33)27(34)31(24)12-11-30-13-15-36-16-14-30/h5-10,17,24,32H,11-16H2,1-4H3/b25-23+InChIKey
DYDPXTHVNQJWJJ-WJTDDFOZSA-NSynonyms
636991-81-6(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4METHOXYPHENYL)METHANOLATE
5(4(TERTBUTYL)PHENYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
636991816
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)1CCOCC1)(O)
InChI=1SC28H33ClN2O5c128(23)208518(6920)2423(25(32)1971022(354)21(29)1719)26(33)27(34)31(24)121130131536161430h510172432H1116H214H3b2523+
MFCD20755946
ZINC000009065544
ZINC000009179012
Check stock
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