Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL309676
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc2c(c1)OCCO2
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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 C16H18N2O5 MW 318.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5/c1-9-15(16(20)18-17-9)11(8-14(19)21-2)10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7,11H,5-6,8H2,1-2H3,(H2,17,18,20)InChIKey
KBEPVUPGQIUASQ-UHFFFAOYSA-NSynonyms
1435978-14-51435978145
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC3=C(C=C2)OCCO3
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc2c(c1)OCCO2
InChI=1SC16H18N2O5c1915(16(20)18179)11(814(19)212)10341213(710)23652212h34711H568H212H3(H2171820)
methyl3(23dihydro14benzodioxin6yl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(23dihydro14benzodioxin6yl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28025082
ZINC000095472779
ZINC000095472780
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