Vitas-M small molecule compound

methyl 2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STL020300
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1

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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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-14-15(2)33-24(18(14)25(30)31-3)26-22(28)19-20(16-10-6-4-7-11-16)27(32-21(19)23(26)29)17-12-8-5-9-13-17/h4-13,19-21H,1-3H3
InChIKey
JUJAPQYUNVFBIH-UHFFFAOYSA-N
Synonyms
1005055-78-6
1005055786
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI=1SC25H22N2O5Sc11415(2)3324(18(14)25(30)313)2622(28)1920(16106471116)27(3221(19)23(26)29)17128591317h4131921H13H3
METHYL2(46DIOXO23DIPHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2(46dioxo23diphenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
METHYL2(46DIOXO23DIPHENYLHEXAHYDRO5HPYRROLO(34D)ISOXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2(46DIOXO23DIPHENYLTETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02970671
ZINC000102912229
ZINC000238900766

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Available files

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