Vitas-M small molecule compound

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

Catalog ID
STK532472
SMILES O=c1n(Cc2ccccc2)c(SCCSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccccc2)CCCCC4)nc2c1C1(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 C50H50N4O2S2 MW 803.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H50N4O2S2/c55-45-41-43(39-23-11-9-21-37(39)31-49(41)25-13-3-14-26-49)51-47(53(45)33-35-17-5-1-6-18-35)57-29-30-58-48-52-44-40-24-12-10-22-38(40)32-50(27-15-4-16-28-50)42(44)46(56)54(48)34-36-19-7-2-8-20-36/h1-2,5-12,17-24H,3-4,13-16,25-34H2
InChIKey
LJYVXVYDKWHQSX-UHFFFAOYSA-N
Synonyms

22(ethane12diylbis(sulfanediyl))bis(3benzyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(ethane12diyldisulfanediyl)bis(3benzyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
3BENZYL2(2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLETHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCSC5=NC6=C(C(=O)N5CC7=CC=CC=C7)C8(CCCCC8)CC9=CC=CC=C96)CC1=CC=CC=C1
InChI=1SC50H50N4O2S2c55454143(39231192137(39)3149(41)25133142649)5147(53(45)3335175161835)57293058485244402412102238(40)3250(27154162850)42(44)46(56)54(48)3436197282036h125121724H3413162534H2
MFCD02987792
ZINC000150412317
ZINC150412317

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Available files

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