Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL147905
SMILES C[NH+](CCCN1C(c2cccs2)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)C
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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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-19-17-21(34-18-20-9-5-4-6-10-20)12-13-22(19)26(31)24-25(23-11-7-16-35-23)30(28(33)27(24)32)15-8-14-29(2)3/h4-7,9-13,16-17,25,31H,8,14-15,18H2,1-3H3/b26-24+InChIKey
BEOXZIXDNUOTFQ-SHHOIMCASA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
C(NH+)(CCCN1C(c2cccs2)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CS4)O
InChI=1SC28H30N2O4Sc1191721(34182095461020)121322(19)26(31)2425(23117163523)30(28(33)27(24)32)1581429(2)3h4791316172531H8141518H213H3b2624+
MFCD20755286
ZINC000102926020
ZINC000102926023
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