Vitas-M small molecule compound

2-(ethylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol

Catalog ID
STK590861
SMILES CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1[N+](=O)[O-]

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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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c1-2-26-17-19-16-18-11-7-5-9-13(23)14(11)15(21(16)20-17)10-6-3-4-8-12(10)22(24)25/h3-4,6,8,15,23H,2,5,7,9H2,1H3
InChIKey
ORECHXZYRQMFBR-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)9(2nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8ol
CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1(N+)(=O)(O)
MFCD07197482
ZINC000102674961
ZINC000102674963

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.