Vitas-M small molecule compound

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

Catalog ID
STK832479
SMILES CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

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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 C25H26N2OS MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2OS/c1-29-24-26-22-20-12-6-5-11-19(20)17-25(14-7-8-15-25)21(22)23(28)27(24)16-13-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3
InChIKey
GUVLBCFVUQVMTL-UHFFFAOYSA-N
Synonyms
316358-79-9
2(methylsulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(METHYLSULFANYL)3(2PHENYLETHYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(methylthio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2methylsulfanyl3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)4one
2METHYLSULFANYL3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2METHYLTHIO3(2PHENYLETHYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
316358799
CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC25H26N2OSc1292426222012651119(20)1725(14781525)21(22)23(28)27(24)16131893241018h26912H781317H21H3
MFCD01175098
ZINC000002060675
ZINC02060675
ZINC2060675

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Available files

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