Vitas-M small molecule compound
methyl 2-[4,6-dioxo-2-phenyl-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019606
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccs1
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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 C25H22N2O5S2 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S2/c1-31-25(30)18-15-10-5-6-11-16(15)34-24(18)26-22(28)19-20(17-12-7-13-33-17)27(32-21(19)23(26)29)14-8-3-2-4-9-14/h2-4,7-9,12-13,19-21H,5-6,10-11H2,1H3InChIKey
ZLKSTWHCZXRWLO-UHFFFAOYSA-NSynonyms
1005074-19-01005074190
COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC25H22N2O5S2c13125(30)181510561116(15)3424(18)2622(28)1920(17127133317)27(3221(19)23(26)29)148324914h247912131921H561011H21H3
methyl2(46dioxo2phenyl3(thiophen2yl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(46dioxo2phenyl3thiophen2yl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02970891
ZINC000102191414
ZINC000238950705
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