Vitas-M small molecule compound
3-(furan-2-ylmethyl)-2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL044351
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccco2)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 C39H38N4O3S MW 642.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H38N4O3S/c44-35-31-33(28-14-4-2-11-25(28)21-38(31)18-8-9-19-38)40-30(41-35)24-47-37-42-34-29-15-5-3-12-26(29)22-39(16-6-1-7-17-39)32(34)36(45)43(37)23-27-13-10-20-46-27/h2-5,10-15,20H,1,6-9,16-19,21-24H2,(H,40,41,44)InChIKey
LKQMHOPSTCCQDW-UHFFFAOYSA-NSynonyms
3(furan2ylmethyl)2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(FURAN2YLMETHYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCC8)CC9=CC=CO9
InChI=1SC39H38N4O3Sc44353133(2814421125(28)2138(31)18891938)4030(4135)24473742342915531226(29)2239(166171739)32(34)36(45)43(37)23271310204627h25101520H16916192124H2(H404144)
MFCD03812654
ZINC000150448902
ZINC150448902
Check stock
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