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3-cyclohexyl-2-{[(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK532510
SMILES O=c1[nH]c(CSc2nc3c4ccccc4CC4(c3c(=O)n2C2CCCCC2)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 C41H46N4O2S MW 658.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H46N4O2S/c46-37-33-35(30-18-8-6-14-27(30)24-40(33)20-10-2-11-21-40)42-32(43-37)26-48-39-44-36-31-19-9-7-15-28(31)25-41(22-12-3-13-23-41)34(36)38(47)45(39)29-16-4-1-5-17-29/h6-9,14-15,18-19,29H,1-5,10-13,16-17,20-26H2,(H,42,43,46)
InChIKey
INCFKDUZPKWYLS-UHFFFAOYSA-N
Synonyms

3cyclohexyl2(((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3cyclohexyl2(((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3CYCLOHEXYL2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCCC9
InChI=1SC41H46N4O2Sc46373335(3018861427(30)2440(33)20102112140)4232(4337)26483944363119971528(31)2541(22123132341)34(36)38(47)45(39)29164151729h691415181929H15101316172026H2(H424346)
MFCD02988071
O=c1(nH)c(CSc2nc3c4ccccc4CC4(c3c(=O)n2C2CCCCC2)CCCCC4)nc2c1C1(CCCCC1)Cc1c2cccc1
ZINC000150412444
ZINC150412444

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Available files

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