Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805048
SMILES CCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(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 C27H36N2O2S MW 452.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O2S/c1-4-16-32-25-28-23-21-11-7-6-10-19(21)17-27(13-8-5-9-14-27)22(23)24(30)29(25)20-12-15-31-26(2,3)18-20/h6-7,10-11,20H,4-5,8-9,12-18H2,1-3H3InChIKey
PMMHGMSAKWMVEB-UHFFFAOYSA-NSynonyms
303966-84-93(22DIMETHYLOXAN4YL)2PROPYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2(propylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)2(PROPYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3(22dimethyltetrahydro2Hpyran4yl)2(propylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
303966849
CCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC27H36N2O2Sc1416322528232111761019(21)1727(138591427)22(23)24(30)29(25)2012153126(23)1820h67101120H45891218H213H3
MFCD01807197
ZINC000002183005
ZINC000002183006
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