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]phenoxy}acetic acid
Catalog ID
STK335003
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)OCC(=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/c1-33-20-8-5-15(11-21(20)34-2)16-9-18-23(19(30)10-16)24(29-25(28-18)26-13-27-29)14-3-6-17(7-4-14)35-12-22(31)32/h3-8,11,13,16,24H,9-10,12H2,1-2H3,(H,31,32)(H,26,27,28)InChIKey
PRAVTMVQBSZVKF-UHFFFAOYSA-NSynonyms
(4(6(34dimethoxyphenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
2(4(6(34dimethoxyphenyl)8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=C(C=C5)OCC(=O)O)C(=O)C2)OC
InChI=1SC25H24N4O6c133208515(1121(20)342)1691823(19(30)1016)24(2925(2818)26132729)143617(7414)351222(31)32h3811131624H91012H212H3(H3132)(H262728)
MFCD09963789
ZINC000018198008
ZINC000018198014
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