Vitas-M small molecule compound

3-[(2E)-3-(1-cyclopentyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-chromen-2-one

Catalog ID
STL178377
SMILES O=C(c1cc2ccccc2oc1=O)/C=C/c1cn(nc1C)C1CCCC1

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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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-14-16(13-23(22-14)17-7-3-4-8-17)10-11-19(24)18-12-15-6-2-5-9-20(15)26-21(18)25/h2,5-6,9-13,17H,3-4,7-8H2,1H3/b11-10+
InChIKey
JMDWPMRGSZEYGO-ZHACJKMWSA-N
Synonyms
1263039-05-9
1263039059
3((2E)3(1cyclopentyl3methyl1Hpyrazol4yl)prop2enoyl)2Hchromen2one
3((2E)3(1CYCLOPENTYL3METHYLPYRAZOL4YL)PROP2ENOYL)CHROMEN2ONE
3((E)3(1cyclopentyl3methylpyrazol4yl)prop2enoyl)chromen2one
CC1=NN(C=C1C=CC(=O)C2=CC3=CC=CC=C3OC2=O)C4CCCC4
InChI=1SC21H20N2O3c11416(1323(2214)17734817)101119(24)181215625920(15)2621(18)25h25691317H3478H21H3b1110+
MFCD20760036
O=C(c1cc2ccccc2oc1=O)C=Cc1cn(nc1C)C1CCCC1
ZINC000071784832
ZINC71784832

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Available files

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