Vitas-M small molecule compound
4-benzyl-1-(benzylsulfanyl)-6,6-dimethyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Catalog ID
STK935629
SMILES O=c1n(Cc2ccccc2)c2nnc(n2c2c1C(C)(C)Cc1c2cccc1)SCc1ccccc1
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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 C29H26N4OS MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4OS/c1-29(2)17-22-15-9-10-16-23(22)25-24(29)26(34)32(18-20-11-5-3-6-12-20)27-30-31-28(33(25)27)35-19-21-13-7-4-8-14-21/h3-16H,17-19H2,1-2H3InChIKey
UKOXFNSKZOEPGA-UHFFFAOYSA-NSynonyms
848685-74-54benzyl1(benzylsulfanyl)66dimethyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
4benzyl1(benzylthio)66dimethyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
848685745
CC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)CC6=CC=CC=C6)C
InChI=1SC29H26N4OSc129(2)1722159101623(22)2524(29)26(34)32(1820115361220)27303128(33(25)27)351921137481421h316H1719H212H3
MFCD04191896
ZINC000013786208
ZINC13786208
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