Vitas-M small molecule compound
2-(butylsulfanyl)-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK552722
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)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 C25H34N2OS MW 410.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2OS/c1-4-5-15-29-24-26-22-20-12-8-7-11-19(20)16-25(13-9-6-10-14-25)21(22)23(28)27(24)17-18(2)3/h7-8,11-12,18H,4-6,9-10,13-17H2,1-3H3InChIKey
JXOVJZLEJIYOIN-UHFFFAOYSA-NSynonyms
836652-43-82(butylsulfanyl)3(2methylpropyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(butylthio)3isobutyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(2METHYLPROPYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
836652438
CCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC25H34N2OSc14515292426222012871119(20)1625(1396101425)21(22)23(28)27(24)1718(2)3h78111218H469101317H213H3
MFCD03692522
ZINC000002254162
ZINC02254162
ZINC2254162
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