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'-cyclopentan]-5(7H)-one

Catalog ID
STK531181
SMILES Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCC3

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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 C30H25BrN4OS MW 569.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN4OS/c31-22-14-12-20(13-15-22)19-37-29-33-32-28-34(23-9-2-1-3-10-23)27(36)25-26(35(28)29)24-11-5-4-8-21(24)18-30(25)16-6-7-17-30/h1-5,8-15H,6-7,16-19H2
InChIKey
MPSYHERSNPIUPK-UHFFFAOYSA-N
Synonyms

1((4bromobenzyl)sulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
1((4bromobenzyl)thio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=C(C=C6)Br)C7=CC=CC=C7
InChI=1SC30H25BrN4OSc3122141220(131522)19372933322834(2392131023)27(36)2526(35(28)29)241154821(24)1830(25)16671730h15815H671619H2
MFCD02239549
ZINC000001828042
ZINC1828042

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Available files

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