Vitas-M small molecule compound
{2-[6-(3,4-dimethoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]phenoxy}acetic acid
Catalog ID
STK335004
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccccc2OCC(=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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c1-33-20-8-7-14(11-21(20)34-2)15-9-17-23(18(30)10-15)24(29-25(28-17)26-13-27-29)16-5-3-4-6-19(16)35-12-22(31)32/h3-8,11,13,15,24H,9-10,12H2,1-2H3,(H,31,32)(H,26,27,28)InChIKey
YYSYDGSLQAEMGC-UHFFFAOYSA-NSynonyms
(2(6(34dimethoxyphenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
2(2(6(34dimethoxyphenyl)8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=CC=C5OCC(=O)O)C(=O)C2)OC
InChI=1SC25H24N4O6c133208714(1121(20)342)1591723(18(30)1015)24(2925(2817)26132729)16534619(16)351222(31)32h3811131524H91012H212H3(H3132)(H262728)
MFCD09963790
ZINC000018198016
ZINC000018198021
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