Vitas-M small molecule compound
methyl 5-tert-butyl-5-hydroxy-1-[(4-methylphenyl)carbonyl]-4,5-dihydro-1H-pyrazole-3-carboxylate
Catalog ID
STL325013
SMILES COC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)c1ccc(cc1)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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-11-6-8-12(9-7-11)14(20)19-17(22,16(2,3)4)10-13(18-19)15(21)23-5/h6-9,22H,10H2,1-5H3InChIKey
RTXLAWTWYFCPKH-UHFFFAOYSA-NSynonyms
103653-59-4103653594
CC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(=O)OC)(C(C)(C)C)O
InChI=1SC17H22N2O4c1116812(9711)14(20)1917(2216(23)4)1013(1819)15(21)235h6922H10H215H3
methyl5(tertbutyl)5hydroxy1(4methylbenzoyl)45dihydro1Hpyrazole3carboxylate
methyl5tertbutyl5hydroxy1((4methylphenyl)carbonyl)45dihydro1Hpyrazole3carboxylate
METHYL5TERTBUTYL5HYDROXY1(4METHYLBENZOYL)4HPYRAZOLE3CARBOXYLATE
MFCD01853784
ZINC000000499419
ZINC000000499420
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