Vitas-M small molecule compound
(E)-{2-[4-(dimethylamino)phenyl]-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL150231
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)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 C27H33N3O4 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4/c1-17-15-20-16-19(9-12-22(20)34-17)25(31)23-24(18-7-10-21(11-8-18)29(4)5)30(27(33)26(23)32)14-6-13-28(2)3/h7-12,16-17,24,31H,6,13-15H2,1-5H3/b25-23+InChIKey
XSPWNSRWSILMQJ-WJTDDFOZSA-NSynonyms
846594-06-7(4E)5(4(dimethylamino)phenyl)1(3(dimethylamino)propyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(4DIMETHYLAMINOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4(dimethylamino)phenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4DIMETHYLAMINOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
846594067
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)N(C)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCC(NH+)(C)C)(O)
InChI=1SC27H33N3O4c11715201619(91222(20)3417)25(31)2324(1871021(11818)29(4)5)30(27(33)26(23)32)1461328(2)3h71216172431H61315H215H3b2523+
MFCD20755774
ZINC000102735172
ZINC000102735177
Check stock
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