Vitas-M small molecule compound

2-benzyl-4-(methylsulfanyl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]

Catalog ID
STK529220
SMILES CSc1nc(Cc2ccccc2)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 C25H26N2S MW 386.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2S/c1-28-24-22-23(26-21(27-24)16-18-10-4-2-5-11-18)20-13-7-6-12-19(20)17-25(22)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey
DNQCWYLPPWGHTI-UHFFFAOYSA-N
Synonyms
350254-27-2
2benzyl4(methylsulfanyl)6Hspiro(benzo(h)quinazoline51cyclohexane)
2benzyl4(methylthio)6Hspiro(benzo(h)quinazoline51cyclohexane)
2BENZYL4METHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)
350254272
CSC1=NC(=NC2=C1C3(CCCCC3)CC4=CC=CC=C42)CC5=CC=CC=C5
InChI=1SC25H26N2Sc128242223(2621(2724)1618104251118)2013761219(20)1725(22)148391525h2471013H3891417H21H3
MFCD00349061
ZINC000002318469
ZINC02318469
ZINC2318469

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Available files

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