Vitas-M small molecule compound
4-benzyl-6-ethyl-6-methyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Catalog ID
STK557030
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(S)nn1)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 C23H22N4OS MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4OS/c1-3-23(2)13-16-11-7-8-12-17(16)19-18(23)20(28)26(14-15-9-5-4-6-10-15)21-24-25-22(29)27(19)21/h4-12H,3,13-14H2,1-2H3,(H,25,29)InChIKey
XLQHGPHCSKHJQY-UHFFFAOYSA-NSynonyms
577987-41-84benzyl6ethyl1mercapto6methyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
4benzyl6ethyl6methyl1sulfanyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
577987418
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NNC(=S)N34)CC5=CC=CC=C5)C
InChI=1SC23H22N4OSc1323(2)131611781217(16)1918(23)20(28)26(141595461015)21242522(29)27(19)21h412H31314H212H3(H2529)
MFCD04022180
ZINC000005791219
ZINC000005791263
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