Vitas-M small molecule compound

(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK618609
SMILES COc1cc(ccc1OC)C1N(CCC[NH+](C)C)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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-18(2)17-37-22-11-10-21(15-19(22)3)27(32)25-26(20-9-12-23(35-6)24(16-20)36-7)31(29(34)28(25)33)14-8-13-30(4)5/h9-12,15-16,18,26,32H,8,13-14,17H2,1-7H3/b27-25+
InChIKey
PTDCUENKRVJVCQ-IMVLJIQESA-N
Synonyms
459794-05-9
(4E)5(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
459794059
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)OC)OC)O)OCC(C)C
COc1cc(ccc1OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC29H38N2O6c118(2)173722111021(1519(22)3)27(32)2526(2091223(356)24(1620)367)31(29(34)28(25)33)1481330(4)5h9121516182632H8131417H217H3b2725+
MFCD18246356
ZINC000102717464
ZINC000102717466

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Available files

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