Vitas-M small molecule compound
2-(hexylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK531834
SMILES CCCCCCSc1nc2c3ccccc3CC3(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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-3-4-5-10-19-33-28-30-26-24-12-7-6-11-22(24)20-29(17-8-9-18-29)25(26)27(32)31(28)23-15-13-21(2)14-16-23/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3InChIKey
ZYFJJTBZNJMUFF-UHFFFAOYSA-NSynonyms
2(hexylsulfanyl)3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(hexylthio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2HEXYLSULFANYL3(4METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2OSc13451019332830262412761122(24)2029(17891829)25(26)27(32)31(28)23151321(2)141623h671116H358101720H212H3
MFCD02763675
ZINC000001770918
ZINC01770918
ZINC1770918
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