Vitas-M small molecule compound
2-(benzylsulfanyl)-3-butyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK547189
SMILES CCCCn1c(SCc2ccccc2)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/c1-2-3-18-30-26(31)24-25(29-27(30)32-20-21-12-6-4-7-13-21)23-15-9-8-14-22(23)19-28(24)16-10-5-11-17-28/h4,6-9,12-15H,2-3,5,10-11,16-20H2,1H3InChIKey
UGILSSPHVVBSFD-UHFFFAOYSA-NSynonyms
488120-54-32(benzylsulfanyl)3butyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3butyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3BUTYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
488120543
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5
InChI=1SC28H32N2OSc123183026(31)2425(2927(30)322021126471321)2315981422(23)1928(24)16105111728h4691215H23510111620H21H3
MFCD03289347
ZINC000002330204
ZINC02330204
ZINC2330204
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