Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK560005
SMILES CC[NH+](CCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O)CC

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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 C28H35N3O6 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O6/c1-6-29(7-2)14-15-30-25(20-8-11-22(12-9-20)31(35)36)24(27(33)28(30)34)26(32)21-10-13-23(19(5)16-21)37-17-18(3)4/h8-13,16,18,25,32H,6-7,14-15,17H2,1-5H3/b26-24+
InChIKey
PLDOSMUXLZDFJC-SHHOIMCASA-N
Synonyms
500107-24-4
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
500107244
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
CC(NH+)(CCN1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C1=O)CC
InChI=1SC28H35N3O6c1629(72)14153025(2081122(12920)31(35)36)24(27(33)28(30)34)26(32)21101323(19(5)1621)371718(3)4h81316182532H67141517H215H3b2624+
MFCD18243426
ZINC000102492174
ZINC000102492184

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Available files

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