Vitas-M small molecule compound
methyl {[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Catalog ID
STK557074
SMILES COC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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 C21H20N4O2S3 MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S3/c1-27-16(26)12-29-21-24-23-18-17-14-9-5-6-10-15(14)30-19(17)22-20(25(18)21)28-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3InChIKey
PMXZHQQCKATDBP-UHFFFAOYSA-NSynonyms
577996-07-7577996077
COC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)SCC5=CC=CC=C5
InChI=1SC21H20N4O2S3c12716(26)12292124231817149561015(14)3019(17)2220(25(18)21)2811137324813h2478H56912H21H3
methyl((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD04022473
ZINC000002361104
ZINC02361104
ZINC2361104
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