Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL044200
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[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 C26H29N3O8 MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O8/c1-35-20-8-7-18(16-21(20)36-2)24(30)22-23(17-5-3-6-19(15-17)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-37-14-12-27/h3,5-8,15-16,23,30H,4,9-14H2,1-2H3/b24-22+
InChIKey
KWRMWEKOIICDBH-ZNTNEXAZSA-N
Synonyms

(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(34DIMETHOXYBENZOYL)3HYDROXY1(3MORPHOLINOPROPYL)5(3NITROPHENYL)1HPYRROL2(5H)ONE
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29N3O8c135208718(1621(20)362)24(30)2223(1753619(1517)29(33)34)28(26(32)25(22)31)104927111337141227h35815162330H4914H212H3b2422+
MFCD18248369
ZINC000102874695
ZINC000102874699

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Available files

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