Vitas-M small molecule compound
2,2'-(butane-1,4-diyldisulfanediyl)bis(3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one)
Catalog ID
STK531734
SMILES O=c1n(c2ccccc2)c(SCCCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2)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(39-25-11-9-19-35(39)33-49(41)27-13-3-14-28-49)51-47(53(45)37-21-5-1-6-22-37)57-31-17-18-32-58-48-52-44-40-26-12-10-20-36(40)34-50(29-15-4-16-30-50)42(44)46(56)54(48)38-23-7-2-8-24-38/h1-2,5-12,19-26H,3-4,13-18,27-34H2InChIKey
JTRCPEGWMVBPMU-UHFFFAOYSA-NSynonyms
2(4(4OXO3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLBUTYLSULFANYL)3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
22(butane14diylbis(sulfanediyl))bis(3phenyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(butane14diyldisulfanediyl)bis(3phenyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCCCSC5=NC6=C(C(=O)N5C7=CC=CC=C7)C8(CCCCC8)CC9=CC=CC=C96)C1=CC=CC=C1
InChI=1SC50H50N4O2S2c55454143(39251191935(39)3349(41)27133142849)5147(53(45)37215162237)573117183258485244402612102036(40)3450(29154163050)42(44)46(56)54(48)38237282438h125121926H3413182734H2
MFCD02996591
ZINC000150412193
ZINC150412193
Check stock
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