Vitas-M small molecule compound

2-(butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK832687
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

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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 C27H36N2O2S MW 452.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O2S/c1-4-5-16-32-25-28-23-21-11-7-6-10-19(21)17-27(13-8-9-14-27)22(23)24(30)29(25)20-12-15-31-26(2,3)18-20/h6-7,10-11,20H,4-5,8-9,12-18H2,1-3H3
InChIKey
TWKPHXFOURVWKU-UHFFFAOYSA-N
Synonyms
303088-77-9
2(butylsulfanyl)3(22dimethyltetrahydro2Hpyran4yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(BUTYLSULFANYL)3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)56DIHYDRO4(3H)OXOSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)
2(butylthio)3(22dimethyltetrahydro2Hpyran4yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BUTYLSULFANYL3(22DIMETHYLOXAN4YL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
303088779
CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H36N2O2Sc14516322528232111761019(21)1727(13891427)22(23)24(30)29(25)2012153126(23)1820h67101120H45891218H213H3
ZINC000002060622
ZINC000002060623

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Available files

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