Vitas-M small molecule compound

methyl 2-[2-(4-chlorophenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL019610
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)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 C28H25ClN2O5S MW 537.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O5S/c1-15-7-9-16(10-8-15)23-22-24(36-31(23)18-13-11-17(29)12-14-18)26(33)30(25(22)32)27-21(28(34)35-2)19-5-3-4-6-20(19)37-27/h7-14,22-24H,3-6H2,1-2H3
InChIKey
BOQFXVGHBOHFIB-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=C(C=C6)Cl
InChI=1SC28H25ClN2O5Sc1157916(10815)232224(3631(23)18131117(29)121418)26(33)30(25(22)32)2721(28(34)352)19534620(19)3727h7142224H36H212H3
methyl2(2(4chlorophenyl)3(4methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(4chlorophenyl)3(4methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02970943
ZINC000102861284
ZINC000238881945

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Available files

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