Vitas-M small molecule compound
2-methoxyethyl 7-(4-ethylphenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK233659
SMILES COCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)CC)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 C21H26N4O5S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5S/c1-5-14-6-8-15(9-7-14)18-17(19(27)30-11-10-28-3)13(2)22-20-23-21(24-25(18)20)31-12-16(26)29-4/h6-9,18H,5,10-12H2,1-4H3,(H,22,23,24)InChIKey
PBIAKSRECAGQCC-UHFFFAOYSA-NSynonyms
2methoxyethyl7(4ethylphenyl)2((2methoxy2oxoethyl)sulfanyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2methoxyethyl7(4ethylphenyl)2(2methoxy2oxoethyl)sulfanyl5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC(=O)OC)C)C(=O)OCCOC
InChI=1SC21H26N4O5Sc15146815(9714)1817(19(27)301110283)13(2)22202321(2425(18)20)311216(26)294h6918H51012H214H3(H222324)
METHYL2(7(4ETHYLPHENYL)6((2METHOXYETHYL)OXYCARBONYL)5METHYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDIN2YLTHIO)ACETATE
MFCD06755160
ZINC000009427251
ZINC000009427252
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