Vitas-M small molecule compound
3-benzyl-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
STK562401
SMILES O=c1n(Cc2ccccc2)c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)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 C41H40N4O2S MW 652.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O2S/c46-37-33-35(30-17-7-5-15-28(30)23-40(33)21-11-12-22-40)42-32(43-37)26-48-39-44-36-31-18-8-6-16-29(31)24-41(19-9-2-10-20-41)34(36)38(47)45(39)25-27-13-3-1-4-14-27/h1,3-8,13-18H,2,9-12,19-26H2,(H,42,43,46)InChIKey
WDMGWBAQRUYSNP-UHFFFAOYSA-NSynonyms
3benzyl2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2((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=CC=C9
InChI=1SC41H40N4O2Sc46373335(3017751528(30)2340(33)2111122240)4232(4337)26483944363118861629(31)2441(1992102041)34(36)38(47)45(39)2527133141427h1381318H29121926H2(H424346)
MFCD03808681
ZINC000150414012
ZINC150414012
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