Vitas-M small molecule compound
3-(3-bromophenyl)-2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835775
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)Br)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 C27H29BrN2OS MW 509.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN2OS/c1-2-3-16-32-26-29-24-22-13-6-5-10-19(22)18-27(14-7-4-8-15-27)23(24)25(31)30(26)21-12-9-11-20(28)17-21/h5-6,9-13,17H,2-4,7-8,14-16,18H2,1H3InChIKey
JYIMSNCTVOKAAE-UHFFFAOYSA-NSynonyms
3(3bromophenyl)2(butylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2(butylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2BUTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC27H29BrN2OSc12316322629242213651019(22)1827(147481527)23(24)25(31)30(26)211291120(28)1721h5691317H2478141618H21H3
MFCD02763767
ZINC000001823781
ZINC01823781
ZINC1823781
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