Vitas-M small molecule compound
12-benzyl-9-(benzylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK549589
SMILES O=c1n2c(SCc3ccccc3)nnc2n(c2c1C1(CCCCC1)Cc1c2cccc1)Cc1ccccc1
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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 C32H30N4OS MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4OS/c37-29-27-28(26-17-9-8-16-25(26)20-32(27)18-10-3-11-19-32)35(21-23-12-4-1-5-13-23)30-33-34-31(36(29)30)38-22-24-14-6-2-7-15-24/h1-2,4-9,12-17H,3,10-11,18-22H2InChIKey
PLBGXSILTWMGGG-UHFFFAOYSA-NSynonyms
836640-62-112benzyl9(benzylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12benzyl9(benzylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
836640621
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N5C(=NN=C5SCC6=CC=CC=C6)N4CC7=CC=CC=C7
InChI=1SC32H30N4OSc37292728(2617981625(26)2032(27)18103111932)35(2123124151323)30333431(36(29)30)382224146271524h12491217H310111822H2
MFCD03690551
ZINC000013713590
ZINC13713590
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