Vitas-M small molecule compound
methyl 6-tert-butyl-2-{4,6-dioxo-2-phenyl-3-[4-(trifluoromethoxy)phenyl]hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL057124
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(F)(F)F)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 C32H31F3N2O6S MW 628.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31F3N2O6S/c1-31(2,3)18-12-15-21-22(16-18)44-29(23(21)30(40)41-4)36-27(38)24-25(17-10-13-20(14-11-17)42-32(33,34)35)37(43-26(24)28(36)39)19-8-6-5-7-9-19/h5-11,13-14,18,24-26H,12,15-16H2,1-4H3InChIKey
KROIFPPGQFBDDD-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)OC(F)(F)F
InChI=1SC32H31F3N2O6Sc131(23)1812152122(1618)4429(23(21)30(40)414)3627(38)2425(17101320(141117)4232(3334)35)37(4326(24)28(36)39)198657919h5111314182426H121516H214H3
methyl6(tertbutyl)2(46dioxo2phenyl3(4(trifluoromethoxy)phenyl)tetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(46dioxo2phenyl3(4(trifluoromethoxy)phenyl)3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(46dioxo2phenyl3(4(trifluoromethoxy)phenyl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD05725303
ZINC000229891617
ZINC000245246406
Check stock
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Check stock on Vitas-MAvailable files
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