Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK563242
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC[NH+](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 C30H40N2O7 MW 540.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O7/c1-8-9-15-39-21-11-12-22(19(2)16-21)27(33)25-26(32(30(35)28(25)34)14-10-13-31(3)4)20-17-23(36-5)29(38-7)24(18-20)37-6/h11-12,16-18,26,33H,8-10,13-15H2,1-7H3/b27-25+InChIKey
BLWDNBUPJMLNIT-IMVLJIQESA-NSynonyms
371142-12-0(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
371142120
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC(NH+)(C)C)(O)
InChI=1SC30H40N2O7c189153921111222(19(2)1621)27(33)2526(32(30(35)28(25)34)14101331(3)4)201723(365)29(387)24(1820)376h111216182633H8101315H217H3b2725+
MFCD18244246
ZINC000102518931
ZINC000102518940
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.