Vitas-M small molecule compound

tert-butyl 5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK036515
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(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/c1-6-5-9(17,10(11,12)13)15(14-6)7(16)18-8(2,3)4/h17H,5H2,1-4H3
InChIKey
VBKADCPFEPTFRM-UHFFFAOYSA-N
Synonyms
354767-88-7
354767887
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C
CC1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(C)(C)C
InChI=1SC10H15F3N2O3c1659(1710(1112)13)15(146)7(16)188(23)4h17H5H214H3
MFCD02067872
STK036515
TERTBUTYL5HYDROXY3METHYL5(TRIFLUOROMETHYL)2PYRAZOLINECARBOXYLATE
TERTBUTYL5HYDROXY3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
ZINC000000237530
ZINC000000237538

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Available files

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