Vitas-M small molecule compound
2-{[11-(benzylsulfanyl)-4,4-dimethyl-4,5-dihydrobenzo[h][1,2,4]triazolo[4,3-c]quinazolin-1-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Catalog ID
STL440828
SMILES O=C(N1CCCCC1)CSc1nnc2n1c(SCc1ccccc1)nc1c2C(C)(C)Cc2c1cccc2
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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 C29H31N5OS2 MW 529.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5OS2/c1-29(2)17-21-13-7-8-14-22(21)25-24(29)26-31-32-28(37-19-23(35)33-15-9-4-10-16-33)34(26)27(30-25)36-18-20-11-5-3-6-12-20/h3,5-8,11-14H,4,9-10,15-19H2,1-2H3InChIKey
DOKOZMKOGAUOAW-UHFFFAOYSA-NSynonyms
2((11(benzylsulfanyl)44dimethyl45dihydrobenzo(h)(124)triazolo(43c)quinazolin1yl)sulfanyl)1(piperidin1yl)ethanone
CC1(CC2=CC=CC=C2C3=C1C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)N6CCCCC6)C
InChI=1SC29H31N5OS2c129(2)172113781422(21)2524(29)26313228(371923(35)331594101633)34(26)27(3025)361820115361220h3581114H49101519H212H3
MFCD06242717
ZINC000003766991
ZINC03766991
ZINC3766991
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