Vitas-M small molecule compound

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

Catalog ID
STK309004
SMILES CCn1ccc(n1)C(=O)/C=C/c1ccc(o1)COc1cc(C)cc(c1)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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-4-23-10-9-20(22-23)21(24)8-7-17-5-6-18(26-17)14-25-19-12-15(2)11-16(3)13-19/h5-13H,4,14H2,1-3H3/b8-7+
InChIKey
PQVHCZNJHJDNCX-BQYQJAHWSA-N
Synonyms
1005626-28-7
(2E)3(5((35dimethylphenoxy)methyl)furan2yl)1(1ethyl1Hpyrazol3yl)prop2en1one
(E)3(5((35DIMETHYLPHENOXY)METHYL)FURAN2YL)1(1ETHYLPYRAZOL3YL)PROP2EN1ONE
1005626287
CCN1C=CC(=N1)C(=O)C=CC2=CC=C(O2)COC3=CC(=CC(=C3)C)C
CCn1ccc(n1)C(=O)C=Cc1ccc(o1)COc1cc(C)cc(c1)C
InChI=1SC21H22N2O3c142310920(2223)21(24)87175618(2617)1425191215(2)1116(3)1319h513H414H213H3b87+
MFCD04133201
ZINC000006637291
ZINC06637291
ZINC6637291

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Available files

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