Vitas-M small molecule compound
2-amino-9-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335443
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2cccc(c2)Br)nc(n1)N
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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 C23H22BrN5O3 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN5O3/c1-31-18-7-6-12(11-19(18)32-2)14-9-16-20(17(30)10-14)21(13-4-3-5-15(24)8-13)29-23(26-16)27-22(25)28-29/h3-8,11,14,21H,9-10H2,1-2H3,(H3,25,26,27,28)InChIKey
RHGLPOAMHDWBAB-UHFFFAOYSA-NSynonyms
2amino9(3bromophenyl)6(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2amino9(3bromophenyl)6(34dimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=C(N4)N)C5=CC(=CC=C5)Br)C(=O)C2)OC
InChI=1SC23H22BrN5O3c131187612(1119(18)322)1491620(17(30)1014)21(1343515(24)813)2923(2616)2722(25)2829h38111421H910H212H3(H325262728)
MFCD09964003
ZINC000018199069
ZINC000018199073
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