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

Catalog ID
STK532340
SMILES Cc1ccc(cc1)n1c(SCCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccc(cc2)C)CCCCC4)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C51H52N4O2S2 MW 817.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H52N4O2S2/c1-34-18-22-38(23-19-34)54-46(56)42-44(40-16-7-5-14-36(40)32-50(42)26-9-3-10-27-50)52-48(54)58-30-13-31-59-49-53-45-41-17-8-6-15-37(41)33-51(28-11-4-12-29-51)43(45)47(57)55(49)39-24-20-35(2)21-25-39/h5-8,14-25H,3-4,9-13,26-33H2,1-2H3
InChIKey
VDGBIWXJQGJQFK-UHFFFAOYSA-N
Synonyms

22(propane13diylbis(sulfanediyl))bis(3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(propane13diyldisulfanediyl)bis(3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
3(4METHYLPHENYL)2(3(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLPROPYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCCSC6=NC7=C(C(=O)N6C8=CC=C(C=C8)C)C9(CCCCC9)CC1=CC=CC=C17
InChI=1SC51H52N4O2S2c134182238(231934)5446(56)4244(4016751436(40)3250(42)2693102750)5248(54)58301331594953454117861537(41)3351(28114122951)43(45)47(57)55(49)39242035(2)212539h581425H349132633H212H3
MFCD02986544
ZINC000150412298
ZINC150412298

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Available files

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