Vitas-M small molecule compound
(E)-1-(3,4-dimethoxyphenyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)methanimine
Catalog ID
STK037395
SMILES COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)sc3c2CCCC3)ccc1OC
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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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-27-15-8-7-13(9-16(15)28-2)10-23-29-11-18-24-20-19-14-5-3-4-6-17(14)30-21(19)22-12-26(20)25-18/h7-10,12H,3-6,11H2,1-2H3/b23-10+InChIKey
PHMNDAPQFYCRCU-AUEPDCJTSA-NSynonyms
(E)1(34dimethoxyphenyl)N(891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin2ylmethoxy)methanimine
(Z)34dimethoxybenzaldehydeO((891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
COC1=C(C=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5)OC
COc1cc(C=NOCc2nn3c(n2)c2c(nc3)sc3c2CCCC3)ccc1OC
InChI=1SC21H21N5O3Sc127158713(916(15)282)102329111824201914534617(14)3021(19)221226(20)2518h71012H3611H212H3b2310+
MFCD02042778
STK037395
ZINC000001832466
ZINC13809903
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