Vitas-M small molecule compound
ethyl {[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
STK720387
SMILES CCOC(=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 C22H22N4O2S3 MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S3/c1-2-28-17(27)13-30-22-25-24-19-18-15-10-6-7-11-16(15)31-20(18)23-21(26(19)22)29-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3InChIKey
UNXRGYNWRHWIBP-UHFFFAOYSA-NSynonyms
578758-04-0578758040
CCOC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)SCC5=CC=CC=C5
ethyl((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
ethyl2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
InChI=1SC22H22N4O2S3c122817(27)133022252419181510671116(15)3120(18)2321(26(19)22)2912148435914h3589H2671013H21H3
MFCD04024898
ZINC000002370981
ZINC02370981
ZINC2370981
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