Vitas-M small molecule compound

ethyl 5-hydroxy-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK008398
SMILES CCOC(=O)N1N=C(CC1(O)C(F)(F)F)C(C)C

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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 C10H15F3N2O3 MW 268.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H15F3N2O3/c1-4-18-8(16)15-9(17,10(11,12)13)5-7(14-15)6(2)3/h6,17H,4-5H2,1-3H3
InChIKey
VUGDXOWQBISQRE-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1C(CC(=N1)C(C)C)(C(F)(F)F)O
CCOC(=O)N1N=C(CC1(O)C(F)(F)F)C(C)C
ETHYL5HYDROXY3(PROPAN2YL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
ETHYL5HYDROXY3PROPAN2YL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
InChI=1SC10H15F3N2O3c14188(16)159(1710(1112)13)57(1415)6(2)3h617H45H213H3
MFCD03724703
STK008398
ZINC000000249015
ZINC000000249019

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Available files

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