Vitas-M small molecule compound
2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK545798
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)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/c1-3-4-17-31-26-28-24-22-10-6-5-9-20(22)18-27(15-7-8-16-27)23(24)25(30)29(26)21-13-11-19(2)12-14-21/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3InChIKey
QHAVFGVHTBLXLF-UHFFFAOYSA-NSynonyms
289711-64-42(butylsulfanyl)3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(BUTYLSULFANYL)3(4METHYLPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(butylthio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
289711644
2BUTYLSULFANYL3(4METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2BUTYLTHIO3(4METHYLPHENYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H30N2OSc1341731262824221065920(22)1827(15781627)23(24)25(30)29(26)21131119(2)121421h56914H34781518H212H3
MFCD01174953
ZINC000001836969
ZINC01836969
ZINC1836969
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