Vitas-M small molecule compound
(E)-1-(2-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
STK575427
SMILES COc1ccccc1/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/c1-27-16-9-6-5-7-14(16)11-23-28-12-18-24-20-19-15-8-3-2-4-10-17(15)29-21(19)22-13-26(20)25-18/h5-7,9,11,13H,2-4,8,10,12H2,1H3/b23-11+InChIKey
LINRBUDVHSZUAH-FOKLQQMPSA-NSynonyms
902308-96-7(E)1(2methoxyphenyl)N(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2ylmethoxy)methanimine
(E)2methoxybenzaldehydeO((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
902308967
COC1=CC=CC=C1C=NOCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5
COc1ccccc1C=NOCc1nc2n(n1)cnc1c2c2CCCCCc2s1
InChI=1SC21H21N5O2Sc12716965714(16)11232812182420191583241017(15)2921(19)221326(20)2518h5791113H2481012H21H3b2311+
MFCD06789174
ZINC000005347044
ZINC33582875
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