Vitas-M small molecule compound
methyl 4-{3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1H-pyrazol-1-yl}butanoate
Catalog ID
STK689109
SMILES COC(=O)CCCn1ccc(n1)NC(=O)c1ccc2c(c1)OCO2
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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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-22-15(20)3-2-7-19-8-6-14(18-19)17-16(21)11-4-5-12-13(9-11)24-10-23-12/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,18,21)InChIKey
XLZIHAGERQQKPD-UHFFFAOYSA-NSynonyms
COC(=O)CCCN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC16H17N3O5c12215(20)327198614(1819)1716(21)11451213(911)24102312h4689H23710H21H3(H171821)
methyl4(3((13benzodioxol5ylcarbonyl)amino)1Hpyrazol1yl)butanoate
METHYL4(3(13BENZODIOXOLE5CARBONYLAMINO)PYRAZOL1YL)BUTANOATE
METHYL4(3(2HBENZO(34D)13DIOXOLEN5YLCARBONYLAMINO)PYRAZOLYL)BUTANOATE
MFCD07800394
ZINC000004786688
ZINC04786688
ZINC4786688
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