Vitas-M small molecule compound

(2E)-1-(1-methyl-1H-pyrazol-5-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one

Catalog ID
STK309608
SMILES [O-][N+](=O)c1ccc(cc1)OCc1ccc(o1)/C=C/C(=O)c1ccnn1C

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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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c1-20-17(10-11-19-20)18(22)9-8-15-6-7-16(26-15)12-25-14-4-2-13(3-5-14)21(23)24/h2-11H,12H2,1H3/b9-8+
InChIKey
PTPGRNLZUNWAPB-CMDGGOBGSA-N
Synonyms
1005590-12-4
(2E)1(1methyl1Hpyrazol5yl)3(5((4nitrophenoxy)methyl)furan2yl)prop2en1one
(E)1(2METHYLPYRAZOL3YL)3(5((4NITROPHENOXY)METHYL)FURAN2YL)PROP2EN1ONE
(O)(N+)(=O)c1ccc(cc1)OCc1ccc(o1)C=CC(=O)c1ccnn1C
1005590124
CN1C(=CC=N1)C(=O)C=CC2=CC=C(O2)COC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H15N3O5c12017(10111920)18(22)98156716(2615)1225144213(3514)21(23)24h211H12H21H3b98+
MFCD04133817
ZINC000006925474
ZINC06925474
ZINC6925474

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Available files

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