Vitas-M small molecule compound

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

Catalog ID
STL147887
SMILES Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])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 C24H24ClN3O6 MW 485.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN3O6/c25-18-6-2-17(3-7-18)22(29)20-21(16-4-8-19(9-5-16)28(32)33)27(24(31)23(20)30)11-1-10-26-12-14-34-15-13-26/h2-9,21,29H,1,10-15H2/b22-20+
InChIKey
LVDFRZNUWMJELU-LSDHQDQOSA-N
Synonyms

(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
C1COCCN1CCCN2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC24H24ClN3O6c25186217(3718)22(29)2021(164819(9516)28(32)33)27(24(31)23(20)30)1111026121434151326h292129H11015H2b2220+
MFCD20755282
ZINC000008920306
ZINC000008983528

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Available files

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