Vitas-M small molecule compound
methyl 4-{3-[4-(methylsulfanyl)phenyl]-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}benzoate
Catalog ID
STL020712
SMILES COC(=O)c1ccc(cc1)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 C26H22N2O5S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S/c1-32-26(31)17-8-12-18(13-9-17)27-24(29)21-22(16-10-14-20(34-2)15-11-16)28(33-23(21)25(27)30)19-6-4-3-5-7-19/h3-15,21-23H,1-2H3InChIKey
NMRMDEFPEGIYCU-UHFFFAOYSA-NSynonyms
1005061-83-51005061835
COC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC
InChI=1SC26H22N2O5Sc13226(31)1781218(13917)2724(29)2122(16101420(342)151116)28(3323(21)25(27)30)196435719h3152123H12H3
methyl4(3(4(methylsulfanyl)phenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
METHYL4(3(4(METHYLTHIO)PHENYL)46DIOXO2PHENYLTETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)BENZOATE
methyl4(3(4methylsulfanylphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)benzoate
MFCD07801514
ZINC000102949494
ZINC000245229110
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