Vitas-M small molecule compound
methyl 2-(3,4-diethoxybenzyl)-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177030
SMILES CCOc1cc(ccc1OCC)Cc1nn2c(n1)c1c(nc2)sc(c1C)C(=O)OC
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-5-28-14-8-7-13(9-15(14)29-6-2)10-16-23-19-17-12(3)18(21(26)27-4)30-20(17)22-11-25(19)24-16/h7-9,11H,5-6,10H2,1-4H3InChIKey
DVBCRXUBTJBTLS-UHFFFAOYSA-NSynonyms
828298-71-1828298711
CCOC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(=C(S4)C(=O)OC)C)OCC
InChI=1SC21H22N4O4Sc1528148713(915(14)2962)101623191712(3)18(21(26)274)3020(17)221125(19)2416h7911H5610H214H3
methyl2(34diethoxybenzyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133011
ZINC000002798766
ZINC02798766
ZINC2798766
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