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2,2'-(ethane-1,2-diyldisulfanediyl)bis[3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one]

Catalog ID
STK532504
SMILES O=c1n(c(SCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2C)CCCCC4)nc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1C

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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 C50H50N4O2S2 MW 803.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H50N4O2S2/c1-33-17-5-11-23-39(33)53-45(55)41-43(37-21-9-7-19-35(37)31-49(41)25-13-3-14-26-49)51-47(53)57-29-30-58-48-52-44-38-22-10-8-20-36(38)32-50(27-15-4-16-28-50)42(44)46(56)54(48)40-24-12-6-18-34(40)2/h5-12,17-24H,3-4,13-16,25-32H2,1-2H3
InChIKey
YJHWUQQDOLMDFN-UHFFFAOYSA-N
Synonyms

22(ethane12diylbis(sulfanediyl))bis(3(otolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(ethane12diyldisulfanediyl)bis(3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
3(2METHYLPHENYL)2(2(3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLETHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCSC6=NC7=C(C(=O)N6C8=CC=CC=C8C)C9(CCCCC9)CC1=CC=CC=C17
InChI=1SC50H50N4O2S2c133175112339(33)5345(55)4143(3721971935(37)3149(41)25133142649)5147(53)5729305848524438221082036(38)3250(27154162850)42(44)46(56)54(48)40241261834(40)2h5121724H3413162532H212H3
MFCD02985606
ZINC000150412440
ZINC150412440

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Available files

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