Vitas-M small molecule compound
2-amino-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335763
SMILES Nc1nc2n(n1)C(c1ccc(cc1)[N+](=O)[O-])C1=C(N2)CC(CC1=O)(C)C
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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 C17H18N6O3 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O3/c1-17(2)7-11-13(12(24)8-17)14(22-16(19-11)20-15(18)21-22)9-3-5-10(6-4-9)23(25)26/h3-6,14H,7-8H2,1-2H3,(H3,18,19,20,21)InChIKey
BTQUJTCHHCKAQW-UHFFFAOYSA-NSynonyms
2amino66dimethyl9(4nitrophenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
2amino66dimethyl9(4nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=C(N3)N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC17H18N6O3c117(2)71113(12(24)817)14(2216(1911)2015(18)2122)93510(649)23(25)26h3614H78H212H3(H318192021)
MFCD09964247
Nc1nc2n(n1)C(c1ccc(cc1)(N+)(=O)(O))C1=C(N2)CC(CC1=O)(C)C
ZINC000018199996
ZINC000018199998
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