Vitas-M small molecule compound
4-benzyl-1-[(4-bromobenzyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK530221
SMILES Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C31H27BrN4OS MW 583.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN4OS/c32-24-14-12-22(13-15-24)20-38-30-34-33-29-35(19-21-8-2-1-3-9-21)28(37)26-27(36(29)30)25-11-5-4-10-23(25)18-31(26)16-6-7-17-31/h1-5,8-15H,6-7,16-20H2InChIKey
ZHJBSHNKBOCIQG-UHFFFAOYSA-NSynonyms
4benzyl1((4bromobenzyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1((4bromobenzyl)thio)4Hspiro(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)CC7=CC=CC=C7
InChI=1SC31H27BrN4OSc3224141222(131524)20383034332935(19218213921)28(37)2627(36(29)30)2511541023(25)1831(26)16671731h15815H671620H2
MFCD02234975
ZINC000001885749
ZINC1885749
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