Vitas-M small molecule compound

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

Catalog ID
STK047186
SMILES O=C(N1N=C(CC1(O)c1ccncc1)C)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 C14H19N3O3 MW 277.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3O3/c1-10-9-14(19,11-5-7-15-8-6-11)17(16-10)12(18)20-13(2,3)4/h5-8,19H,9H2,1-4H3
InChIKey
WJHPUXHUAQHCDB-UHFFFAOYSA-N
Synonyms

CC1=NN(C(C1)(C2=CC=NC=C2)O)C(=O)OC(C)(C)C
InChI=1SC14H19N3O3c110914(191157158611)17(1610)12(18)2013(23)4h5819H9H214H3
MFCD02214635
O=C(N1N=C(CC1(O)c1ccncc1)C)OC(C)(C)C
STK047186
TERTBUTYL5HYDROXY3METHYL5(PYRIDIN4YL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL5HYDROXY3METHYL5PYRIDIN4YL4HPYRAZOLE1CARBOXYLATE
ZINC000005073454
ZINC000005073455

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Available files

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