Vitas-M small molecule compound
methyl {[5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Catalog ID
STK941321
SMILES COC(=O)CSc1nnc2n1c(SC(C)C)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 C17H20N4O2S3 MW 408.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O2S3/c1-9(2)25-16-18-15-13(10-6-4-5-7-11(10)26-15)14-19-20-17(21(14)16)24-8-12(22)23-3/h9H,4-8H2,1-3H3InChIKey
HHQOLLSEOSJIQF-UHFFFAOYSA-NSynonyms
862487-58-9862487589
CC(C)SC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)OC
InChI=1SC17H20N4O2S3c19(2)2516181513(10645711(10)2615)14192017(21(14)16)24812(22)233h9H48H213H3
methyl((5(propan2ylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((5(isopropylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD05699099
ZINC000005557259
ZINC05557259
ZINC5557259
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