Vitas-M small molecule compound
2-(hexylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530954
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)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 C30H36N2O2S MW 488.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O2S/c1-3-4-5-11-20-35-29-31-27-25-13-8-7-12-22(25)21-30(18-9-6-10-19-30)26(27)28(33)32(29)23-14-16-24(34-2)17-15-23/h7-8,12-17H,3-6,9-11,18-21H2,1-2H3InChIKey
HPAUTNGXXOXTIY-UHFFFAOYSA-NSynonyms
2(hexylsulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(hexylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2HEXYLSULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H36N2O2Sc13451120352931272513871222(25)2130(1896101930)26(27)28(33)32(29)23141624(342)171523h781217H369111821H212H3
MFCD01992970
ZINC000002298764
ZINC02298764
ZINC2298764
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