Vitas-M small molecule compound

6-tert-butyl-2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK423074
SMILES N#Cc1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)C1C(=C(C)C)C2CC1

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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 C25H30N2O2S MW 422.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O2S/c1-12(2)19-15-8-9-16(19)21-20(15)22(28)27(23(21)29)24-17(11-26)14-7-6-13(25(3,4)5)10-18(14)30-24/h13,15-16,20-21H,6-10H2,1-5H3
InChIKey
IRZSCNFOEAMGDU-UHFFFAOYSA-N
Synonyms

6tertbutyl2(13dioxo8(propan2ylidene)octahydro2H47methanoisoindol2yl)4567tetrahydro1benzothiophene3carbonitrile
CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N)C
InChI=1SC25H30N2O2Sc112(2)19158916(19)2120(15)22(28)27(23(21)29)2417(1126)147613(25(34)5)1018(14)3024h1315162021H610H215H3
MFCD02373424
ZINC000225632921
ZINC000245227542

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Available files

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