Vitas-M small molecule compound
methyl 5-tert-butyl-1-[(4-chlorophenyl)carbonyl]-5-hydroxy-4,5-dihydro-1H-pyrazole-3-carboxylate
Catalog ID
STK039896
SMILES COC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)c1ccc(cc1)Cl
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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 C16H19ClN2O4 MW 338.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN2O4/c1-15(2,3)16(22)9-12(14(21)23-4)18-19(16)13(20)10-5-7-11(17)8-6-10/h5-8,22H,9H2,1-4H3InChIKey
ZGWPCWLCZBYPED-UHFFFAOYSA-NSynonyms
372157-21-6372157216
CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)Cl)C(=O)OC)O
COC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)c1ccc(cc1)Cl
InChI=1SC16H19ClN2O4c115(23)16(22)912(14(21)234)1819(16)13(20)105711(17)8610h5822H9H214H3
methyl5(tertbutyl)1(4chlorobenzoyl)5hydroxy45dihydro1Hpyrazole3carboxylate
METHYL5TERTBUTYL1((4CHLOROPHENYL)CARBONYL)5HYDROXY45DIHYDRO1HPYRAZOLE3CARBOXYLATE
METHYL5TERTBUTYL1(4CHLOROBENZOYL)5HYDROXY4HPYRAZOLE3CARBOXYLATE
MFCD00516575
STK039896
ZINC000000440613
ZINC000000440614
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