Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL046546
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2C)CCCCC4)nc2c1C1(CCCC1)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 C41H40N4O2S MW 652.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O2S/c1-26-13-3-8-18-31(26)45-38(47)34-36(30-17-7-5-15-28(30)24-41(34)19-9-2-10-20-41)44-39(45)48-25-32-42-35-29-16-6-4-14-27(29)23-40(21-11-12-22-40)33(35)37(46)43-32/h3-8,13-18H,2,9-12,19-25H2,1H3,(H,42,43,46)InChIKey
PWRABBOJRQSAFK-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHYLPHENYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCC9
InChI=1SC41H40N4O2Sc12613381831(26)4538(47)3436(3017751528(30)2441(34)1992102041)4439(45)48253242352916641427(29)2340(2111122240)33(35)37(46)4332h381318H29121925H21H3(H424346)
MFCD03801376
ZINC000150451900
ZINC150451900
Check stock
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