Vitas-M small molecule compound

2-(hexylsulfanyl)-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK935396
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

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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 C27H38N2OS MW 438.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2OS/c1-4-5-6-12-17-31-26-28-24-22-14-9-8-13-21(22)18-27(15-10-7-11-16-27)23(24)25(30)29(26)19-20(2)3/h8-9,13-14,20H,4-7,10-12,15-19H2,1-3H3
InChIKey
YAGONSZZPDIBHW-UHFFFAOYSA-N
Synonyms
845903-52-8
2(hexylsulfanyl)3(2methylpropyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(hexylthio)3isobutyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2HEXYLSULFANYL3(2METHYLPROPYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
845903528
CCCCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC27H38N2OSc14561217312628242214981321(22)1827(15107111627)23(24)25(30)29(26)1920(2)3h89131420H4710121519H213H3
MFCD04173302
ZINC000009303866
ZINC09303866
ZINC9303866

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Available files

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