Vitas-M small molecule compound

6,6-dimethyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK137621
SMILES O=C1CC(C)(C)CC2=C1C(n1c(N2)ncn1)c1ccccc1[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 C17H17N5O3 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3/c1-17(2)7-11-14(13(23)8-17)15(21-16(20-11)18-9-19-21)10-5-3-4-6-12(10)22(24)25/h3-6,9,15H,7-8H2,1-2H3,(H,18,19,20)
InChIKey
HSJGGAYRQSYATN-UHFFFAOYSA-N
Synonyms
537001-82-4
537001824
66dimethyl9(2nitrophenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
66dimethyl9(2nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=CN3)C4=CC=CC=C4(N+)(=O)(O))C(=O)C1)C
InChI=1SC17H17N5O3c117(2)71114(13(23)817)15(2116(2011)1891921)10534612(10)22(24)25h36915H78H212H3(H181920)
MFCD03543147
O=C1CC(C)(C)CC2=C1C(n1c(N2)ncn1)c1ccccc1(N+)(=O)(O)
ZINC000018249677
ZINC000018249679

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Available files

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