Vitas-M small molecule compound
2-(butylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK833206
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
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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/c1-2-3-20-33-28-30-26-24-15-9-8-14-23(24)21-29(17-10-5-11-18-29)25(26)27(32)31(28)19-16-22-12-6-4-7-13-22/h4,6-9,12-15H,2-3,5,10-11,16-21H2,1H3InChIKey
HQHWYVLEHPZCBE-UHFFFAOYSA-NSynonyms
369607-69-22(butylsulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(butylthio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2butylsulfanyl3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2BUTYLSULFANYL3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
369607692
CCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2OSc12320332830262415981423(24)2129(17105111829)25(26)27(32)31(28)191622126471322h4691215H23510111621H21H3
MFCD01175124
ZINC000002259092
ZINC02259092
ZINC2259092
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