Vitas-M small molecule compound
6-(3,4-dimethoxyphenyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335012
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccccc2[N+](=O)[O-])ncn1
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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 C23H21N5O5 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5/c1-32-19-8-7-13(11-20(19)33-2)14-9-16-21(18(29)10-14)22(27-23(26-16)24-12-25-27)15-5-3-4-6-17(15)28(30)31/h3-8,11-12,14,22H,9-10H2,1-2H3,(H,24,25,26)InChIKey
XZWSGQQLDKUBCW-UHFFFAOYSA-NSynonyms
6(34dimethoxyphenyl)9(2nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
6(34dimethoxyphenyl)9(2nitrophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=CC=C5(N+)(=O)(O))C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccccc2(N+)(=O)(O))ncn1
InChI=1SC23H21N5O5c132198713(1120(19)332)1491621(18(29)1014)22(2723(2616)24122527)15534617(15)28(30)31h3811121422H910H212H3(H242526)
MFCD09963798
ZINC000018198074
ZINC000018198079
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