Vitas-M small molecule compound

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

Catalog ID
STK548458
SMILES CCCCn1c(SCCc2ccccc2)nc2c(c1=O)C1(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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-2-3-19-31-27(32)25-26(30-28(31)33-20-16-22-12-6-4-7-13-22)24-15-9-8-14-23(24)21-29(25)17-10-5-11-18-29/h4,6-9,12-15H,2-3,5,10-11,16-21H2,1H3
InChIKey
PCTFXLNSJKINCH-UHFFFAOYSA-N
Synonyms
500271-10-3
3butyl2((2phenylethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2(2phenylethylsulfanyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
3butyl2(phenethylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2PHENETHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
500271103
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5
InChI=1SC29H34N2OSc123193127(32)2526(3028(31)33201622126471322)2415981423(24)2129(25)17105111829h4691215H23510111621H21H3
MFCD03299943
ZINC000002328137
ZINC02328137
ZINC2328137

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Available files

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