Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK845828
SMILES COC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(o2)C)\O)/C(=O)C1=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 C22H17N3O8S MW 483.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O8S/c1-10-7-8-14(33-10)17(26)15-16(12-5-4-6-13(9-12)25(30)31)24(20(28)18(15)27)22-23-11(2)19(34-22)21(29)32-3/h4-9,16,26H,1-3H3/b17-15+InChIKey
VBEBNPRJNHHUQM-BMRADRMJSA-NSynonyms
COC(=O)c1sc(nc1C)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(o2)C)O)C(=O)C1=O
methyl2((3E)3(hydroxy(5methylfuran2yl)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03812604
ZINC000102798706
ZINC000102798708
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