Vitas-M small molecule compound
1-(4-chlorophenyl)-2-{[5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
Catalog ID
STL334643
SMILES CCSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)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 C21H19ClN4OS3 MW 475.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4OS3/c1-2-28-20-23-19-17(14-5-3-4-6-16(14)30-19)18-24-25-21(26(18)20)29-11-15(27)12-7-9-13(22)10-8-12/h7-10H,2-6,11H2,1H3InChIKey
OPCVLAAMDGXHGW-UHFFFAOYSA-NSynonyms
489405-55-21(4chlorophenyl)2((5(ethylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)ethanone
1(4chlorophenyl)2((5(ethylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)ethanone
489405552
CCSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)Cl
InChI=1SC21H19ClN4OS3c122820231917(14534616(14)3019)18242521(26(18)20)291115(27)127913(22)10812h710H2611H21H3
MFCD03296208
ZINC000002252425
ZINC02252425
ZINC2252425
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