Vitas-M small molecule compound
(E)-{2-[4-(dimethylamino)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK568943
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)Cc1cc[nH+]cc1)/[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 C28H27N3O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4/c1-17-14-21-15-20(6-9-23(21)35-17)26(32)24-25(19-4-7-22(8-5-19)30(2)3)31(28(34)27(24)33)16-18-10-12-29-13-11-18/h4-13,15,17,25,32H,14,16H2,1-3H3/b26-24+InChIKey
LCJNVUVVHDKLIC-SHHOIMCASA-NSynonyms
850765-42-3(4E)5(4(dimethylamino)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(pyridin4ylmethyl)pyrrolidine23dione
(4E)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4(dimethylamino)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4DIMETHYLAMINOPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
850765423
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC=C(C=C5)N(C)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)Cc1cc(nH+)cc1)(O)
InChI=1SC28H27N3O4c11714211520(6923(21)3517)26(32)2425(194722(8519)30(2)3)31(28(34)27(24)33)1618101229131118h41315172532H1416H213H3b2624+
MFCD18245261
ZINC000102555040
ZINC000102653582
Check stock
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