Vitas-M small molecule compound
(E)-1-(3,4-dimethoxyphenyl)-N-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)methanimine
Catalog ID
STK069170
SMILES COc1ccc(cc1OC)/C=N/OCc1nc2n(n1)cnc1c2c2CCCCCc2s1
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-28-16-9-8-14(10-17(16)29-2)11-24-30-12-19-25-21-20-15-6-4-3-5-7-18(15)31-22(20)23-13-27(21)26-19/h8-11,13H,3-7,12H2,1-2H3/b24-11+InChIKey
YISZPHYTQPYJNY-BHGWPJFGSA-NSynonyms
380165-05-9(E)1(34dimethoxyphenyl)N(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2ylmethoxy)methanimine
(Z)34dimethoxybenzaldehydeO((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
380165059
COC1=C(C=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5)OC
COc1ccc(cc1OC)C=NOCc1nc2n(n1)cnc1c2c2CCCCCc2s1
InChI=1SC22H23N5O3Sc128169814(1017(16)292)1124301219252120156435718(15)3122(20)231327(21)2619h81113H3712H212H3b2411+
MFCD03044611
STK069170
ZINC000001828633
ZINC13799734
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