Vitas-M small molecule compound
7-[(4-methoxybenzyl)sulfanyl]-2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Catalog ID
STK584643
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3
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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 C21H20N6OS2 MW 436.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6OS2/c1-12-22-18-17-15-5-3-4-6-16(15)30-19(17)26-20(27(18)25-12)23-24-21(26)29-11-13-7-9-14(28-2)10-8-13/h7-10H,3-6,11H2,1-2H3InChIKey
CENUXRBATBRYTB-UHFFFAOYSA-NSynonyms
877622-82-77((4methoxybenzyl)sulfanyl)2methyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidine
7((4methoxybenzyl)thio)2methyl10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidine
877622827
CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC)SC6=C3CCCC6
InChI=1SC21H20N6OS2c11222181715534616(15)3019(17)2620(27(18)2512)232421(26)2911137914(282)10813h710H3611H212H3
MFCD05706506
ZINC000009347747
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