Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149069
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C21H21BrN2O4S MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4S/c22-15-5-3-14(4-6-15)19(25)17-18(16-2-1-13-29-16)24(21(27)20(17)26)8-7-23-9-11-28-12-10-23/h1-6,13,18,25H,7-12H2/b19-17+InChIKey
RFAQKUWMGPNDNG-HTXNQAPBSA-NSynonyms
488109-17-7(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4bromophenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4BROMOPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
488109177
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)1CCOCC1)(O)
C1COCC(NH+)1CCN2C(C(=C(C3=CC=C(C=C3)Br)(O))C(=O)C2=O)C4=CC=CS4
InChI=1SC21H21BrN2O4Sc22155314(4615)19(25)1718(1621132916)24(21(27)20(17)26)872391128121023h16131825H712H2b1917+
MFCD20755527
ZINC000008818122
ZINC000101062550
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