Vitas-M small molecule compound

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

Catalog ID
STK531376
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-3-4-5-12-19-33-28-30-26-23-15-8-7-14-22(23)20-29(17-10-11-18-29)25(26)27(32)31(28)24-16-9-6-13-21(24)2/h6-9,13-16H,3-5,10-12,17-20H2,1-2H3
InChIKey
XAWQIKIIHPNYIS-UHFFFAOYSA-N
Synonyms

2(hexylsulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(hexylthio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2HEXYLSULFANYL3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2OSc13451219332830262315871422(23)2029(1710111829)25(26)27(32)31(28)2416961321(24)2h691316H3510121720H212H3
MFCD02763670
ZINC000001792684
ZINC01792684
ZINC1792684

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Available files

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