Vitas-M small molecule compound
methyl 6-tert-butyl-2-{3-[4-(methylsulfanyl)phenyl]-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL050763
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)SC)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 C32H34N2O5S2 MW 590.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O5S2/c1-32(2,3)19-13-16-22-23(17-19)41-30(24(22)31(37)38-4)33-28(35)25-26(18-11-14-21(40-5)15-12-18)34(39-27(25)29(33)36)20-9-7-6-8-10-20/h6-12,14-15,19,25-27H,13,16-17H2,1-5H3InChIKey
PTDBYXRJBFKEMT-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)SC
InChI=1SC32H34N2O5S2c132(23)1913162223(1719)4130(24(22)31(37)384)3328(35)2526(18111421(405)151218)34(3927(25)29(33)36)2097681020h6121415192527H131617H215H3
methyl6(tertbutyl)2(3(4(methylthio)phenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(3(4(methylsulfanyl)phenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(3(4methylsulfanylphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD05725912
ZINC000001874482
ZINC000245246853
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