Vitas-M small molecule compound

4-[6-(3,4-dimethoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoic acid

Catalog ID
STK335005
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)C(=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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-32-19-8-7-15(11-20(19)33-2)16-9-17-21(18(29)10-16)22(28-24(27-17)25-12-26-28)13-3-5-14(6-4-13)23(30)31/h3-8,11-12,16,22H,9-10H2,1-2H3,(H,30,31)(H,25,26,27)
InChIKey
RDOFONSKUBGQBN-UHFFFAOYSA-N
Synonyms

4(6(34dimethoxyphenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin9yl)benzoicacid
4(6(34dimethoxyphenyl)8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)benzoicacid
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=C(C=C5)C(=O)O)C(=O)C2)OC
InChI=1SC24H22N4O5c132198715(1120(19)332)1691721(18(29)1016)22(2824(2717)25122628)133514(6413)23(30)31h3811121622H910H212H3(H3031)(H252627)
MFCD09963791
ZINC000018198023
ZINC000018198028

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Available files

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