Vitas-M small molecule compound

6-ethyl-6-methyl-12-(3-methylbutyl)-9-[(3-methylbutyl)sulfanyl]-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

Catalog ID
STK557123
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2CCC(C)C)nnc1SCCC(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 C26H36N4OS MW 452.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N4OS/c1-7-26(6)16-19-10-8-9-11-20(19)22-21(26)23(31)30-24(29(22)14-12-17(2)3)27-28-25(30)32-15-13-18(4)5/h8-11,17-18H,7,12-16H2,1-6H3
InChIKey
YUCSINSECHQXND-UHFFFAOYSA-N
Synonyms
578000-15-4
578000154
6ethyl12isopentyl9(isopentylthio)6methyl56dihydrobenzo(h)(124)triazolo(34b)quinazolin7(12H)one
6ethyl6methyl12(3methylbutyl)9((3methylbutyl)sulfanyl)612dihydrobenzo(h)(124)triazolo(34b)quinazolin7(5H)one
CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=NN=C4SCCC(C)C)N3CCC(C)C)C
InChI=1SC26H36N4OSc1726(6)161910891120(19)2221(26)23(31)3024(29(22)141217(2)3)272825(30)32151318(4)5h8111718H71216H216H3
MFCD03690090
ZINC000002365875
ZINC000002365876

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Available files

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