Vitas-M small molecule compound
2-(pentylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698948
SMILES CCCCCSc1nc2c3ccccc3CC3(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 C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-2-3-12-21-34-29-31-27-25-16-9-8-15-24(25)22-30(18-10-5-11-19-30)26(27)28(33)32(29)20-17-23-13-6-4-7-14-23/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3InChIKey
JMPXKJXAELHSCX-UHFFFAOYSA-NSynonyms
2(pentylsulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(pentylthio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2pentylsulfanyl3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2PENTYLSULFANYL3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H36N2OSc1231221342931272516981524(25)2230(18105111930)26(27)28(33)32(29)201723136471423h4691316H23510121722H21H3
MFCD01807189
ZINC000001839503
ZINC01839503
ZINC1839503
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