Vitas-M small molecule compound

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

Catalog ID
STK698953
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)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 C31H38N2OS MW 486.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2OS/c1-3-4-5-11-20-35-30-32-28-26-13-8-7-12-25(26)21-31(18-9-6-10-19-31)27(28)29(34)33(30)22-24-16-14-23(2)15-17-24/h7-8,12-17H,3-6,9-11,18-22H2,1-2H3
InChIKey
IAPPYNWFILLDQS-UHFFFAOYSA-N
Synonyms

2(hexylsulfanyl)3(4methylbenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(hexylthio)3(4methylbenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2HEXYLSULFANYL3((4METHYLPHENYL)METHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC31H38N2OSc13451120353032282613871225(26)2131(1896101931)27(28)29(34)33(30)2224161423(2)151724h781217H369111822H212H3
MFCD01807180
ZINC000001882313
ZINC01882313
ZINC1882313

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Available files

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