Vitas-M small molecule compound

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

Catalog ID
STK546417
SMILES CCCn1c(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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-2-18-30-26(31)24-25(29-27(30)32-19-15-21-11-5-3-6-12-21)23-14-8-7-13-22(23)20-28(24)16-9-4-10-17-28/h3,5-8,11-14H,2,4,9-10,15-20H2,1H3
InChIKey
YCSQIXIZLUZSLT-UHFFFAOYSA-N
Synonyms
489422-18-6
2((2phenylethyl)sulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2phenylethylsulfanyl)3propylspiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2(phenethylthio)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2PHENETHYLSULFANYL3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
489422186
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5
InChI=1SC28H32N2OSc12183026(31)2425(2927(30)32191521115361221)2314871322(23)2028(24)1694101728h3581114H249101520H21H3
MFCD03296750
ZINC000002266077
ZINC02266077
ZINC2266077

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Available files

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