Vitas-M small molecule compound
3-[(2E)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-chromen-2-one
Catalog ID
STL181778
SMILES Cc1nn(c(c1/C=C/C(=O)c1cc2ccccc2oc1=O)C)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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c1-11-14(12(2)20(3)19-11)8-9-16(21)15-10-13-6-4-5-7-17(13)23-18(15)22/h4-10H,1-3H3/b9-8+InChIKey
MWMWGADWOISMFS-CMDGGOBGSA-NSynonyms
1263038-54-51263038545
3((2E)3(135trimethyl1Hpyrazol4yl)prop2enoyl)2Hchromen2one
3((2E)3(135TRIMETHYLPYRAZOL4YL)PROP2ENOYL)CHROMEN2ONE
3((E)3(135trimethylpyrazol4yl)prop2enoyl)chromen2one
3(3(TRIMETHYL1HPYRAZOL4YL)PROP2ENOYL)2HCHROMEN2ONE
CC1=C(C(=NN1C)C)C=CC(=O)C2=CC3=CC=CC=C3OC2=O
Cc1nn(c(c1C=CC(=O)c1cc2ccccc2oc1=O)C)C
InChI=1SC18H16N2O3c11114(12(2)20(3)1911)8916(21)151013645717(13)2318(15)22h410H13H3b98+
MFCD20760150
ZINC000071785174
ZINC71785174
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