Vitas-M small molecule compound

1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK525756
SMILES Brc1ccc(cc1)C(=O)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 C32H27BrN4O2S MW 611.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN4O2S/c33-23-15-13-21(14-16-23)26(38)20-40-31-35-34-30-36(24-10-3-1-4-11-24)29(39)27-28(37(30)31)25-12-6-5-9-22(25)19-32(27)17-7-2-8-18-32/h1,3-6,9-16H,2,7-8,17-20H2
InChIKey
CCVJJNXIKGAYEQ-UHFFFAOYSA-N
Synonyms

1((2(4bromophenyl)2oxoethyl)sulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2(4bromophenyl)2oxoethyl)thio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC(=O)C6=CC=C(C=C6)Br)C7=CC=CC=C7
InChI=1SC32H27BrN4O2Sc3323151321(141623)26(38)20403135343036(24103141124)29(39)2728(37(30)31)251265922(25)1932(27)177281832h136916H2781720H2
MFCD01959989
ZINC000101065146
ZINC101065146

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Available files

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