Vitas-M small molecule compound

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

Catalog ID
STK549632
SMILES CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)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 C26H36N4OS MW 452.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N4OS/c1-5-8-12-16-29-22-20-15-11-10-14-19(20)18-26(4,7-3)21(22)23(31)30-24(29)27-28-25(30)32-17-13-9-6-2/h10-11,14-15H,5-9,12-13,16-18H2,1-4H3
InChIKey
YVHDEBKFQSRAJW-UHFFFAOYSA-N
Synonyms
799835-80-6
6ethyl6methyl12pentyl9(pentylsulfanyl)612dihydrobenzo(h)(124)triazolo(34b)quinazolin7(5H)one
6ethyl6methyl12pentyl9(pentylthio)56dihydrobenzo(h)(124)triazolo(34b)quinazolin7(12H)one
799835806
CCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCC)C(CC4=CC=CC=C42)(C)CC
InChI=1SC26H36N4OSc15812162922201511101419(20)1826(473)21(22)23(31)3024(29)272825(30)321713962h10111415H5912131618H214H3
MFCD03685170
ZINC000002246801
ZINC000002246802

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Available files

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