Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL039170
SMILES Cc1cccc(c1)n1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCCC2)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 C42H42N4O2S MW 666.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N4O2S/c1-27-13-12-16-30(23-27)46-39(48)35-37(32-18-7-5-15-29(32)25-42(35)21-10-3-11-22-42)45-40(46)49-26-33-43-36-31-17-6-4-14-28(31)24-41(19-8-2-9-20-41)34(36)38(47)44-33/h4-7,12-18,23H,2-3,8-11,19-22,24-26H2,1H3,(H,43,44,47)InChIKey
OGHSDEUMWGYKEX-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHYLPHENYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCCC9
InChI=1SC42H42N4O2Sc12713121630(2327)4639(48)3537(3218751529(32)2542(35)21103112242)4540(46)49263343363117641428(31)2441(198292041)34(36)38(47)4433h47121823H2381119222426H21H3(H434447)
MFCD03802533
ZINC000150439878
ZINC150439878
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.