Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(hexylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698950
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(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 C30H42N2O2S MW 494.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2O2S/c1-4-5-6-12-19-35-28-31-26-24-14-9-8-13-22(24)20-30(16-10-7-11-17-30)25(26)27(33)32(28)23-15-18-34-29(2,3)21-23/h8-9,13-14,23H,4-7,10-12,15-21H2,1-3H3InChIKey
LOANFLQGIMFFCB-UHFFFAOYSA-NSynonyms
303966-98-53(22DIMETHYLOXAN4YL)2HEXYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2(hexylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(22dimethyltetrahydro2Hpyran4yl)2(hexylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
303966985
CCCCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H42N2O2Sc14561219352831262414981322(24)2030(16107111730)25(26)27(33)32(28)2315183429(23)2123h89131423H4710121521H213H3
MFCD01807200
ZINC000001827384
ZINC000001827385
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