Vitas-M small molecule compound
3-(3-bromophenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835833
SMILES CCCSc1nc2c3ccccc3CC3(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 C26H27BrN2OS MW 495.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN2OS/c1-2-15-31-25-28-23-21-12-5-4-9-18(21)17-26(13-6-3-7-14-26)22(23)24(30)29(25)20-11-8-10-19(27)16-20/h4-5,8-12,16H,2-3,6-7,13-15,17H2,1H3InChIKey
FEKDQMFMWAPANR-UHFFFAOYSA-NSynonyms
3(3bromophenyl)2(propylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2(propylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2PROPYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC26H27BrN2OSc121531252823211254918(21)1726(136371426)22(23)24(30)29(25)201181019(27)1620h4581216H2367131517H21H3
MFCD02763765
ZINC000002289509
ZINC02289509
ZINC2289509
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