Vitas-M small molecule compound
methyl {[4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Catalog ID
STK805087
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C21H20N4O4S2 MW 456.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S2/c1-28-13-9-7-12(8-10-13)24-18(27)17-14-5-3-4-6-15(14)31-19(17)25-20(24)22-23-21(25)30-11-16(26)29-2/h7-10H,3-6,11H2,1-2H3InChIKey
RQJKKIDMMXXPNG-UHFFFAOYSA-NSynonyms
351385-44-9351385449
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCC5
InChI=1SC21H20N4O4S2c128139712(81013)2418(27)1714534615(14)3119(17)2520(24)222321(25)301116(26)292h710H3611H212H3
methyl((4(4methoxyphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((4(4methoxyphenyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01879901
ZINC000001205012
ZINC01205012
ZINC1205012
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