Vitas-M small molecule compound
ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK284714
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1ccccc1)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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-4-26-16(24)14-11(2)19-17-20-18(27-10-13(23)25-3)21-22(17)15(14)12-8-6-5-7-9-12/h5-9,15H,4,10H2,1-3H3,(H,19,20,21)InChIKey
QDUMCGXOVQOIQG-UHFFFAOYSA-NSynonyms
896665-12-6896665126
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)SCC(=O)OC)C
ethyl2((2methoxy2oxoethyl)sulfanyl)5methyl7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl2((2methoxy2oxoethyl)thio)5methyl7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl2(2methoxy2oxoethyl)sulfanyl5methyl7phenyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC18H20N4O4Sc142616(24)1411(2)19172018(271013(23)253)2122(17)15(14)128657912h5915H410H213H3(H192021)
MFCD08088262
ZINC000013550557
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