Vitas-M small molecule compound
(5E)-5-(3,4-dimethoxybenzylidene)-9-(3,4-dimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
Catalog ID
STK889105
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2=C1Nc1ncnn1C2c1ccc(c(c1)OC)OC
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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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-31-20-10-8-16(13-22(20)33-3)12-17-6-5-7-19-24(17)29-26-27-15-28-30(26)25(19)18-9-11-21(32-2)23(14-18)34-4/h8-15,25H,5-7H2,1-4H3,(H,27,28,29)/b17-12+InChIKey
BSUOJBLTUIAXBI-SFQUDFHCSA-NSynonyms
(5E)5(34dimethoxybenzylidene)9(34dimethoxyphenyl)456789hexahydro(124)triazolo(51b)quinazoline
(5E)9(34dimethoxyphenyl)5((34dimethoxyphenyl)methylidene)6789tetrahydro1H(124)triazolo(51b)quinazoline
COC1=C(C=C(C=C1)C=C2CCCC3=C2N=C4N=CNN4C3C5=CC(=C(C=C5)OC)OC)OC
COc1ccc(cc1OC)C=C1CCCC2=C1Nc1ncnn1C2c1ccc(c(c1)OC)OC
InChI=1SC26H28N4O4c1312010816(1322(20)333)12176571924(17)292627152830(26)25(19)1891121(322)23(1418)344h81525H57H214H3(H272829)b1712+
MFCD18172097
ZINC000102812105
ZINC000102812106
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