Vitas-M small molecule compound
3-(furan-2-ylmethyl)-2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL037647
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccco2)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 C40H40N4O3S MW 656.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H40N4O3S/c45-36-32-34(29-15-5-3-12-26(29)22-39(32)17-7-1-8-18-39)41-31(42-36)25-48-38-43-35-30-16-6-4-13-27(30)23-40(19-9-2-10-20-40)33(35)37(46)44(38)24-28-14-11-21-47-28/h3-6,11-16,21H,1-2,7-10,17-20,22-25H2,(H,41,42,45)InChIKey
NBLQNBNWNXLPPT-UHFFFAOYSA-NSynonyms
3(furan2ylmethyl)2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(FURAN2YLMETHYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=NC6=C(C(=O)N5CC7=CC=CO7)C8(CCCCC8)CC9=CC=CC=C96
InChI=1SC40H40N4O3Sc45363234(2915531226(29)2239(32)177181839)4131(4236)25483843353016641327(30)2340(1992102040)33(35)37(46)44(38)24281411214728h36111621H1271017202225H2(H414245)
MFCD03807481
ZINC000150436920
ZINC150436920
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.