Vitas-M small molecule compound
2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoic acid
Catalog ID
STK330075
SMILES OC(=O)c1ccccc1n1nc(c2c1CC(C)(C)CC2=O)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 C17H18N2O3 MW 298.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3/c1-10-15-13(8-17(2,3)9-14(15)20)19(18-10)12-7-5-4-6-11(12)16(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)InChIKey
QEEHTYDTGSZKKL-UHFFFAOYSA-NSynonyms
2(366trimethyl4oxo4567tetrahydro1Hindazol1yl)benzoicacid
2(366trimethyl4oxo57dihydroindazol1yl)benzoicacid
CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3C(=O)O
InChI=1SC17H18N2O3c1101513(817(23)914(15)20)19(1810)12754611(12)16(21)22h47H89H213H3(H2122)
MFCD09962173
ZINC000018192879
ZINC18192879
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