Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525945
SMILES Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)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 C31H27BrN4OS MW 583.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN4OS/c32-23-15-13-21(14-16-23)20-38-30-34-33-29-35(24-10-3-1-4-11-24)28(37)26-27(36(29)30)25-12-6-5-9-22(25)19-31(26)17-7-2-8-18-31/h1,3-6,9-16H,2,7-8,17-20H2InChIKey
YQOVNGZOHAOMAP-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=C(C=C6)Br)C7=CC=CC=C7
InChI=1SC31H27BrN4OSc3223151321(141623)20383034332935(24103141124)28(37)2627(36(29)30)251265922(25)1931(26)177281831h136916H2781720H2
MFCD01955048
ZINC000001785093
ZINC1785093
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