Vitas-M small molecule compound
(E)-{2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL042178
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+]1CCOCC1)/[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 C26H27FN2O5 MW 466.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN2O5/c1-16-14-18-15-17(6-7-21(18)34-16)24(30)22-23(19-4-2-3-5-20(19)27)29(26(32)25(22)31)9-8-28-10-12-33-13-11-28/h2-7,15-16,23,30H,8-14H2,1H3/b24-22+InChIKey
YYTROTUGIQISDG-ZNTNEXAZSA-NSynonyms
(E)(2(2fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(2FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=CC=C5F)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)1CCOCC1)(O)
InChI=1SC26H27FN2O5c11614181517(6721(18)3416)24(30)2223(19423520(19)27)29(26(32)25(22)31)9828101233131128h2715162330H814H21H3b2422+
MFCD18248142
ZINC000100446523
ZINC000100446536
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