Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK560665
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](C)C)/[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 C27H35N3O5 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O5/c1-15(2)18-9-11-19(12-10-18)23-21(25(32)26(33)30(23)14-8-13-29(5)6)24(31)20-16(3)22(27(34)35-7)28-17(20)4/h9-12,15,23,28,31H,8,13-14H2,1-7H3/b24-21+InChIKey
IDWVWSMJEUXHMW-DARPEHSRSA-NSynonyms
638135-09-8(E)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638135098
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)C)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(C)C)(O))C
InChI=1SC27H35N3O5c115(2)1891119(121018)2321(25(32)26(33)30(23)1481329(5)6)24(31)2016(3)22(27(34)357)2817(20)4h91215232831H81314H217H3b2421+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY2(4(METHYLETHYL)PHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243594
ZINC000102497837
ZINC000102497847
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