Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK564288
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccc(cc1)[N+](=O)[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 C26H23N3O8S MW 537.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O8S/c1-5-37-25(33)23-14(3)27-26(38-23)28-20(15-6-8-16(9-7-15)29(34)35)19(22(31)24(28)32)21(30)18-11-10-17(36-4)12-13(18)2/h6-12,20,30H,5H2,1-4H3/b21-19+InChIKey
XTUZFWQTFITMNK-XUTLUUPISA-NSynonyms
488708-87-8488708878
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2C)OC)O)C1c1ccc(cc1)(N+)(=O)(O)
ethyl2((3E)3(hydroxy(4methoxy2methylphenyl)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC26H23N3O8Sc153725(33)2314(3)2726(3823)2820(156816(9715)29(34)35)19(22(31)24(28)32)21(30)18111017(364)1213(18)2h6122030H5H214H3b2119+
MFCD03809769
ZINC000102526984
ZINC000102526992
Check stock
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Check stock on Vitas-MAvailable files
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