Vitas-M small molecule compound
methyl 6-tert-butyl-2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL346184
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)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 C31H32N2O5S MW 544.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5S/c1-31(2,3)19-15-16-21-22(17-19)39-29(23(21)30(36)37-4)32-27(34)24-25(18-11-7-5-8-12-18)33(38-26(24)28(32)35)20-13-9-6-10-14-20/h5-14,19,24-26H,15-17H2,1-4H3InChIKey
GYFODTYWKZNASI-UHFFFAOYSA-NSynonyms
1024337-21-01024337210
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC31H32N2O5Sc131(23)1915162122(1719)3929(23(21)30(36)374)3227(34)2425(18117581218)33(3826(24)28(32)35)201396101420h514192426H1517H214H3
methyl6(tertbutyl)2(46dioxo23diphenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(46dioxo23diphenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(46dioxo23diphenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD04196021
ZINC000230029780
ZINC000245310063
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