Vitas-M small molecule compound
3-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STL401244
SMILES O=C(C1C2CCC(C1C(=O)O)O2)NCCCn1nc(c(c1C)Cl)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 C16H22ClN3O4 MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22ClN3O4/c1-8-14(17)9(2)20(19-8)7-3-6-18-15(21)12-10-4-5-11(24-10)13(12)16(22)23/h10-13H,3-7H2,1-2H3,(H,18,21)(H,22,23)InChIKey
KPSPKXULKTWTAU-UHFFFAOYSA-NSynonyms
1024213-66-81024213668
2(3(4CHLORO35DIMETHYLPYRAZOL1YL)PROPYLCARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(4chloro35dimethyl1Hpyrazol1yl)propyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CC1=C(C(=NN1CCCNC(=O)C2C3CCC(C2C(=O)O)O3)C)Cl
InChI=1SC16H22ClN3O4c1814(17)9(2)20(198)7361815(21)12104511(2410)13(12)16(22)23h1013H37H212H3(H1821)(H2223)
MFCD04129417
ZINC000226372977
ZINC000245226205
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