Vitas-M small molecule compound

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

Catalog ID
STL037388
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)C)/[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 C31H42N2O7 MW 554.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O7/c1-9-32(10-2)13-14-33-27(22-16-24(37-6)30(39-8)25(17-22)38-7)26(29(35)31(33)36)28(34)21-11-12-23(20(5)15-21)40-18-19(3)4/h11-12,15-17,19,27,34H,9-10,13-14,18H2,1-8H3/b28-26+
InChIKey
QBIUPFKPUDRPOR-BYCLXTJYSA-N
Synonyms

(4E)1(2(diethylamino)ethyl)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)O)C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC31H42N2O7c1932(102)13143327(221624(376)30(398)25(1722)387)26(29(35)31(33)36)28(34)21111223(20(5)1521)401819(3)4h11121517192734H910131418H218H3b2826+
MFCD18247415
ZINC000102857763
ZINC000102857766

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Available files

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