Vitas-M small molecule compound

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-carbonitrile

Catalog ID
STL020303
SMILES N#Cc1c(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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-16-11-13-17(14-12-16)23-22-24(33-30(23)18-7-3-2-4-8-18)26(32)29(25(22)31)27-20(15-28)19-9-5-6-10-21(19)34-27/h2-4,7-8,11-14,22-24H,5-6,9-10H2,1H3
InChIKey
RGHRGTBKBUTSJT-UHFFFAOYSA-N
Synonyms
1005055-79-7
1005055797
2(3(4methylphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(3(4methylphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)ON2C6=CC=CC=C6
InChI=1SC27H23N3O3Sc116111317(141216)232224(3330(23)187324818)26(32)29(25(22)31)2720(1528)199561021(19)3427h247811142224H56910H21H3
MFCD02970675
ZINC000018008608
ZINC000169688910

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Available files

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