Vitas-M small molecule compound
2,2'-(ethane-1,2-diyldisulfanediyl)bis[3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one]
Catalog ID
STK531237
SMILES COc1ccc(cc1)n1c(SCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccc(cc2)OC)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 C50H50N4O4S2 MW 835.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H50N4O4S2/c1-57-37-21-17-35(18-22-37)53-45(55)41-43(39-15-7-5-13-33(39)31-49(41)25-9-3-10-26-49)51-47(53)59-29-30-60-48-52-44-40-16-8-6-14-34(40)32-50(27-11-4-12-28-50)42(44)46(56)54(48)36-19-23-38(58-2)24-20-36/h5-8,13-24H,3-4,9-12,25-32H2,1-InChIKey
GWKQWZZUIGEBTL-UHFFFAOYSA-NSynonyms
22(ethane12diylbis(sulfanediyl))bis(3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(ethane12diyldisulfanediyl)bis(3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
3(4METHOXYPHENYL)2(2(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLETHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCSC6=NC7=C(C(=O)N6C8=CC=C(C=C8)OC)C9(CCCCC9)CC1=CC=CC=C17
InChI=1SC50H50N4O4S2c15737211735(182237)5345(55)4143(3915751333(39)3149(41)2593102649)5147(53)592930604852444016861434(40)3250(27114122850)42(44)46(56)54(48)36192338(582)242036h581324H349122532H212H3
MFCD02985357
ZINC000150411223
ZINC150411223
Check stock
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Check stock on Vitas-MAvailable files
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