Vitas-M small molecule compound

2-(benzylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK524605
SMILES O=c1n(CCc2ccccc2)c(SCc2ccccc2)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 C31H30N2OS MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2OS/c34-29-27-28(26-16-8-7-15-25(26)21-31(27)18-9-10-19-31)32-30(35-22-24-13-5-2-6-14-24)33(29)20-17-23-11-3-1-4-12-23/h1-8,11-16H,9-10,17-22H2
InChIKey
YMBJIJBTQKYABS-UHFFFAOYSA-N
Synonyms
332024-77-8
2(benzylsulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(benzylthio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2benzylsulfanyl3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)4one
2BENZYLSULFANYL3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(2PHENYLETHYL)2((PHENYLMETHYL)SULFANYL)56DIHYDRO4(3H)OXOSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)
3(2PHENYLETHYL)2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
332024778
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)CCC6=CC=CC=C6
InChI=1SC31H30N2OSc34292728(2616871525(26)2131(27)189101931)3230(352224135261424)33(29)201723113141223h181116H9101722H2
MFCD01175101
ZINC000002060619
ZINC02060619
ZINC2060619

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.