Vitas-M small molecule compound
2-(butylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK833336
SMILES CCCCSc1nc2c3ccccc3CC3(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 C28H32N2O2S MW 460.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S/c1-3-4-18-33-27-29-25-23-11-7-6-10-20(23)19-28(16-8-5-9-17-28)24(25)26(31)30(27)21-12-14-22(32-2)15-13-21/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3InChIKey
PFVWZKKPLBSSJC-UHFFFAOYSA-NSynonyms
328277-91-42(butylsulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(BUTYLSULFANYL)3(4METHOXYPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
2(butylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2BUTYLTHIO3(4METHOXYPHENYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
328277914
CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc13418332729252311761020(23)1928(168591728)24(25)26(31)30(27)21121422(322)151321h671015H35891619H212H3
MFCD00688844
ZINC000001761296
ZINC01761296
ZINC1761296
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.