Vitas-M small molecule compound
2-(butylsulfanyl)-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK942126
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)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 C27H30N2OS MW 430.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2OS/c1-3-4-16-31-26-28-24-22-13-6-5-11-20(22)18-27(14-7-8-15-27)23(24)25(30)29(26)21-12-9-10-19(2)17-21/h5-6,9-13,17H,3-4,7-8,14-16,18H2,1-2H3InChIKey
XHEYWOJOSDINGJ-UHFFFAOYSA-NSynonyms
488733-28-42(butylsulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(butylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BUTYLSULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
488733284
CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H30N2OSc13416312628242213651120(22)1827(14781527)23(24)25(30)29(26)211291019(2)1721h5691317H3478141618H212H3
MFCD03291948
ZINC000001798146
ZINC01798146
ZINC1798146
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