Vitas-M small molecule compound
ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK284715
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)SC)nc(n2)SCC(=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 C19H22N4O4S2 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S2/c1-5-27-17(25)15-11(2)20-18-21-19(29-10-14(24)26-3)22-23(18)16(15)12-6-8-13(28-4)9-7-12/h6-9,16H,5,10H2,1-4H3,(H,20,21,22)InChIKey
WTEMJZBFKLPPHA-UHFFFAOYSA-NSynonyms
896665-20-6896665206
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=C(C=C3)SC)SCC(=O)OC)C
ethyl2((2methoxy2oxoethyl)sulfanyl)5methyl7(4(methylsulfanyl)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl2((2methoxy2oxoethyl)thio)5methyl7(4(methylthio)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl2(2methoxy2oxoethyl)sulfanyl5methyl7(4methylsulfanylphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC19H22N4O4S2c152717(25)1511(2)20182119(291014(24)263)2223(18)16(15)126813(284)9712h6916H510H214H3(H202122)
MFCD08088266
ZINC000009225375
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