Vitas-M small molecule compound
4-benzyl-6,6-dimethyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Catalog ID
STK558265
SMILES Sc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)C
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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 C22H20N4OS MW 388.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4OS/c1-22(2)12-15-10-6-7-11-16(15)18-17(22)19(27)25(13-14-8-4-3-5-9-14)20-23-24-21(28)26(18)20/h3-11H,12-13H2,1-2H3,(H,24,28)InChIKey
ICMFBUKRYFPYQV-UHFFFAOYSA-NSynonyms
586985-11-74benzyl1mercapto66dimethyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
4benzyl66dimethyl1sulfanyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
586985117
CC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NNC(=S)N34)CC5=CC=CC=C5)C
InChI=1SC22H20N4OSc122(2)121510671116(15)1817(22)19(27)25(13148435914)20232421(28)26(18)20h311H1213H212H3(H2428)
MFCD03719754
ZINC000005563810
ZINC5563810
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