Vitas-M small molecule compound

ethyl 4-ethyl-7-oxo-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK779079
SMILES CCn1cc(C(=O)OCC)c(=O)n2c1nc(n2)C(F)(F)F

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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 C11H11F3N4O3 MW 304.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11F3N4O3/c1-3-17-5-6(8(20)21-4-2)7(19)18-10(17)15-9(16-18)11(12,13)14/h5H,3-4H2,1-2H3
InChIKey
NWPCWQKQIFEMNO-UHFFFAOYSA-N
Synonyms

CCN1C=C(C(=O)N2C1=NC(=N2)C(F)(F)F)C(=O)OCC
ETHYL4ETHYL7OXO2(TRIFLUOROMETHYL)(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL4ETHYL7OXO2(TRIFLUOROMETHYL)47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC11H11F3N4O3c131756(8(20)2142)7(19)1810(17)159(1618)11(1213)14h5H34H212H3
MFCD05857967
ZINC000001428776
ZINC01428776
ZINC1428776

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.