Vitas-M small molecule compound
2-[({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Catalog ID
STK270575
SMILES COc1ccc(cc1OC)/C=N/OCc1nc2n(n1)cnc1c2C(c2ccccc2)c2c(O1)cc(cc2)O
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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 C28H23N5O5 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O5/c1-35-21-11-8-17(12-23(21)36-2)14-30-37-15-24-31-27-26-25(18-6-4-3-5-7-18)20-10-9-19(34)13-22(20)38-28(26)29-16-33(27)32-24/h3-14,16,25,34H,15H2,1-2H3/b30-14+InChIKey
PIQDKGXXJYAESO-AMVVHIIESA-NSynonyms
845664-36-0(E)34dimethoxybenzaldehydeO((9hydroxy12phenyl12Hchromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(((((E)(34dimethoxyphenyl)methylidene)amino)oxy)methyl)12phenyl12Hchromeno(32e)(124)triazolo(15c)pyrimidin9ol
845664360
COC1=C(C=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=C(C=C5)O)C6=CC=CC=C6)OC
COc1ccc(cc1OC)C=NOCc1nc2n(n1)cnc1c2C(c2ccccc2)c2c(O1)cc(cc2)O
InChI=1SC28H23N5O5c1352111817(1223(21)362)143037152431272625(186435718)2010919(34)1322(20)3828(26)291633(27)3224h314162534H15H212H3b3014+
MFCD04168768
ZINC000009281752
ZINC000009281753
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