Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562893
SMILES COc1cc(ccc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-18(2)19-5-7-20(8-6-19)25-24(26(31)21-9-10-22(34-3)23(17-21)35-4)27(32)28(33)30(25)12-11-29-13-15-36-16-14-29/h5-10,17-18,25,31H,11-16H2,1-4H3/b26-24+InChIKey
ACEGQXNHYKZKPU-SHHOIMCASA-NSynonyms
615276-19-2(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
615276192
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
COc1cc(ccc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC(NH+)1CCOCC1)(O)
InChI=1SC28H34N2O6c118(2)195720(8619)2524(26(31)2191022(343)23(1721)354)27(32)28(33)30(25)121129131536161429h51017182531H1116H214H3b2624+
MFCD18244152
ZINC000102516236
ZINC000102516243
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