Vitas-M small molecule compound
2-(butylsulfanyl)-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835365
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-3-4-18-32-27-29-25-22-14-8-7-13-21(22)19-28(16-10-5-11-17-28)24(25)26(31)30(27)23-15-9-6-12-20(23)2/h6-9,12-15H,3-5,10-11,16-19H2,1-2H3InChIKey
GGAKEWZPXGSWTI-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(butylthio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2OSc13418322729252214871321(22)1928(16105111728)24(25)26(31)30(27)2315961220(23)2h691215H3510111619H212H3
MFCD01992998
ZINC000002296150
ZINC02296150
ZINC2296150
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