Vitas-M small molecule compound
methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate
Catalog ID
STK089366
SMILES COC(=O)c1ccc(cc1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C17H18N4O4 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4/c1-8-12(15(22)20-18-8)14(13-9(2)19-21-16(13)23)10-4-6-11(7-5-10)17(24)25-3/h4-7,14H,1-3H3,(H2,18,20,22)(H2,19,21,23)InChIKey
HCNVBHRFKSJSTP-UHFFFAOYSA-NSynonyms
433687-35-5433687355
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NNC3=O)C
COC(=O)c1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC17H18N4O4c1812(15(22)20188)14(139(2)192116(13)23)104611(7510)17(24)253h4714H13H3(H2182022)(H2192123)
METHYL4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)BENZOATE
METHYL4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)BENZOATE
MFCD03294621
STK089366
ZINC000004115326
ZINC04115326
ZINC4115326
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