Vitas-M small molecule compound

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

Catalog ID
STK553480
SMILES CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC1(C)CC

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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 C28H40N4OS MW 480.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4OS/c1-5-8-10-14-18-31-24-22-17-13-12-16-21(22)20-28(4,7-3)23(24)25(33)32-26(31)29-30-27(32)34-19-15-11-9-6-2/h12-13,16-17H,5-11,14-15,18-20H2,1-4H3
InChIKey
MKCLDEDNZAAEKE-UHFFFAOYSA-N
Synonyms
835907-40-9
6ethyl12hexyl9(hexylsulfanyl)6methyl612dihydrobenzo(h)(124)triazolo(34b)quinazolin7(5H)one
6ethyl12hexyl9(hexylthio)6methyl56dihydrobenzo(h)(124)triazolo(34b)quinazolin7(12H)one
835907409
CCCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCCC)C(CC4=CC=CC=C42)(C)CC
InChI=1SC28H40N4OSc1581014183124221713121621(22)2028(473)23(24)25(33)3226(31)293027(32)34191511962h12131617H51114151820H214H3
MFCD03686599
ZINC000002248138
ZINC000002248139

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Available files

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