Vitas-M small molecule compound
9-(4-nitrophenyl)-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333382
SMILES O=C1CCCC2=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 C14H12N6O3 MW 312.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N6O3/c21-11-3-1-2-10-12(11)13(19-14(15-10)16-17-18-19)8-4-6-9(7-5-8)20(22)23/h4-7,13H,1-3H2,(H,15,16,18)InChIKey
OTFUYMGBUJNMTB-UHFFFAOYSA-NSynonyms
9(4nitrophenyl)5679tetrahydro1Htetrazolo(51b)quinazolin8one
9(4nitrophenyl)5679tetrahydrotetrazolo(51b)quinazolin8(4H)one
C1CC2=C(C(N3C(=N2)N=NN3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC14H12N6O3c21113121012(11)13(1914(1510)16171819)8469(758)20(22)23h4713H13H2(H151618)
MFCD09963014
O=C1CCCC2=C1C(c1ccc(cc1)(N+)(=O)(O))n1c(N2)nnn1
ZINC000018195738
ZINC000018195739
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