Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK563946
SMILES CCCOc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C27H35N3O6 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O6/c1-7-15-36-19-11-9-18(10-12-19)23-21(25(32)26(33)30(23)14-8-13-29(4)5)24(31)20-16(2)22(27(34)35-6)28-17(20)3/h9-12,23,28,31H,7-8,13-15H2,1-6H3/b24-21+InChIKey
HAGVHELLGHRLTB-DARPEHSRSA-NSynonyms
623124-13-0(E)(1(3(dimethylammonio)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
623124130
CCCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H35N3O6c1715361911918(101219)2321(25(32)26(33)30(23)1481329(4)5)24(31)2016(2)22(27(34)356)2817(20)3h912232831H781315H216H3b2421+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(4PROPOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244423
ZINC000009007846
ZINC000009007847
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