Vitas-M small molecule compound
methyl 2-[3-(4-methylphenyl)-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
STL020304
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C
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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 C28H26N2O5S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5S/c1-16-12-14-17(15-13-16)23-22-24(35-30(23)18-8-4-3-5-9-18)26(32)29(25(22)31)27-21(28(33)34-2)19-10-6-7-11-20(19)36-27/h3-5,8-9,12-15,22-24H,6-7,10-11H2,1-2H3InChIKey
GOSDQROTNDDOBF-UHFFFAOYSA-NSynonyms
1005055-85-51005055855
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=CC=C6
InChI=1SC28H26N2O5Sc116121417(151316)232224(3530(23)188435918)26(32)29(25(22)31)2721(28(33)342)1910671120(19)3627h358912152224H671011H212H3
methyl2(3(4methylphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(4methylphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02970676
ZINC000102862161
ZINC000238899560
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