Vitas-M small molecule compound
6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333607
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])n1c(N2)nnn1
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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 C16H16N6O3 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O3/c1-16(2)7-11-13(12(23)8-16)14(21-15(17-11)18-19-20-21)9-3-5-10(6-4-9)22(24)25/h3-6,14H,7-8H2,1-2H3,(H,17,18,20)InChIKey
MIECPVAJXRZYAC-UHFFFAOYSA-NSynonyms
66dimethyl9(4nitrophenyl)1579tetrahydrotetrazolo(51b)quinazolin8one
66dimethyl9(4nitrophenyl)5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=NN3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC16H16N6O3c116(2)71113(12(23)816)14(2115(1711)18192021)93510(649)22(24)25h3614H78H212H3(H171820)
MFCD09963167
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)(N+)(=O)(O))n1c(N2)nnn1
ZINC000012349080
ZINC000012349087
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