Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL047586
SMILES COc1ccccc1n1c(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 C42H42N4O3S MW 682.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N4O3S/c1-49-32-19-9-8-18-31(32)46-39(48)35-37(30-17-7-5-15-28(30)25-42(35)22-12-3-13-23-42)45-40(46)50-26-33-43-36-29-16-6-4-14-27(29)24-41(20-10-2-11-21-41)34(36)38(47)44-33/h4-9,14-19H,2-3,10-13,20-26H2,1H3,(H,43,44,47)InChIKey
OAOKELMQUCPVDH-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHOXYPHENYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCCC9
InChI=1SC42H42N4O3Sc1493219981831(32)4639(48)3537(3017751528(30)2542(35)22123132342)4540(46)50263343362916641427(29)2441(20102112141)34(36)38(47)4433h491419H2310132026H21H3(H434447)
MFCD03804865
ZINC000150453108
ZINC150453108
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.