Vitas-M small molecule compound
(E)-1-(4-methoxyphenyl)-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
STK860242
SMILES COc1ccc(cc1)/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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-27-15-9-7-14(8-10-15)11-23-28-12-18-24-20-19-16-5-3-2-4-6-17(16)29-21(19)22-13-26(20)25-18/h7-11,13H,2-6,12H2,1H3/b23-11+InChIKey
FFORQTARUSEPOP-FOKLQQMPSA-NSynonyms
(E)1(4methoxyphenyl)N(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2ylmethoxy)methanimine
(Z)4methoxybenzaldehydeO((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
COC1=CC=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5
COc1ccc(cc1)C=NOCc1nc2n(n1)cnc1c2c2CCCCCc2s1
InChI=1SC21H21N5O2Sc127159714(81015)1123281218242019165324617(16)2921(19)221326(20)2518h71113H2612H21H3b2311+
MFCD02920901
ZINC000001768129
ZINC12436977
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