Vitas-M small molecule compound
12-benzyl-9-(benzylsulfanyl)-6,6-diethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Catalog ID
STK555771
SMILES CCC1(CC)Cc2ccccc2c2c1c(=O)n1c(n2Cc2ccccc2)nnc1SCc1ccccc1
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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 C31H30N4OS MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS/c1-3-31(4-2)19-24-17-11-12-18-25(24)27-26(31)28(36)35-29(34(27)20-22-13-7-5-8-14-22)32-33-30(35)37-21-23-15-9-6-10-16-23/h5-18H,3-4,19-21H2,1-2H3InChIKey
NMBLPCCKOLAOOB-UHFFFAOYSA-NSynonyms
843617-66-312benzyl9(benzylsulfanyl)66diethyl612dihydrobenzo(h)(124)triazolo(34b)quinazolin7(5H)one
12benzyl9(benzylthio)66diethyl56dihydrobenzo(h)(124)triazolo(34b)quinazolin7(12H)one
843617663
CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=NN=C4SCC5=CC=CC=C5)N3CC6=CC=CC=C6)CC
InChI=1SC31H30N4OSc1331(42)19241711121825(24)2726(31)28(36)3529(34(27)2022137581422)323330(35)3721231596101623h518H341921H212H3
MFCD04013500
ZINC000002233704
ZINC2233704
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