Vitas-M small molecule compound
3-benzyl-2-(butylsulfanyl)-5-cyclohexyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Catalog ID
STK530329
SMILES CCCCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)C1CCCCC1
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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 C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-3-4-19-34-29-31-27-25-18-12-11-15-23(25)20-30(2,24-16-9-6-10-17-24)26(27)28(33)32(29)21-22-13-7-5-8-14-22/h5,7-8,11-15,18,24H,3-4,6,9-10,16-17,19-21H2,1-2H3InChIKey
OSLOCWZMKKKGHT-UHFFFAOYSA-NSynonyms
3benzyl2(butylsulfanyl)5cyclohexyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3benzyl2(butylthio)5cyclohexyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3BENZYL2BUTYLSULFANYL5CYCLOHEXYL5METHYL6HBENZO(H)QUINAZOLIN4ONE
CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5
InChI=1SC30H36N2OSc1341934293127251812111523(25)2030(2241696101724)26(27)28(33)32(29)2122137581422h57811151824H34691016171921H212H3
MFCD02235926
ZINC000001831310
ZINC000001831311
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