Vitas-M small molecule compound
3-(3-bromophenyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835713
SMILES CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)Br)CCCCC3)C
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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/c1-17(2)31-25-28-23-21-12-5-4-9-18(21)16-26(13-6-3-7-14-26)22(23)24(30)29(25)20-11-8-10-19(27)15-20/h4-5,8-12,15,17H,3,6-7,13-14,16H2,1-2H3InChIKey
ISMYGMRGJLQDQB-UHFFFAOYSA-NSynonyms
3(3bromophenyl)2(isopropylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2(propan2ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC26H27BrN2OSc117(2)31252823211254918(21)1626(136371426)22(23)24(30)29(25)201181019(27)1520h458121517H367131416H212H3
MFCD02763766
ZINC000001830659
ZINC01830659
ZINC1830659
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