Vitas-M small molecule compound

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

Catalog ID
STL020385
SMILES COc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2)c1ccccc1C

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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-16-7-3-5-9-21(16)31-24(17-11-13-18(34-2)14-12-17)23-25(35-31)27(33)30(26(23)32)28-20(15-29)19-8-4-6-10-22(19)36-28/h3,5,7,9,11-14,23-25H,4,6,8,10H2,1-2H3
InChIKey
ZPEIYUMLGKDPBB-UHFFFAOYSA-N
Synonyms
1005273-03-9
1005273039
2(3(4methoxyphenyl)2(2methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(3(4methoxyphenyl)2(2methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)C6=CC=C(C=C6)OC
InChI=1SC28H25N3O4Sc116735921(16)3124(17111318(342)141217)2325(3531)27(33)30(26(23)32)2820(1529)198461022(19)3628h357911142325H46810H212H3
MFCD02971317
ZINC000008741738
ZINC000238950799

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Available files

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