Vitas-M small molecule compound

4-{(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate

Catalog ID
STL407078
SMILES CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)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 C21H19ClN2O4 MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O4/c1-4-20(25)28-18-9-8-14(11-19(18)27-3)10-17-13(2)23-24(21(17)26)16-7-5-6-15(22)12-16/h5-12H,4H2,1-3H3/b17-10-
InChIKey
HJUYVYFHUZKMPR-YVLHZVERSA-N
Synonyms

(4((Z)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)2methoxyphenyl)propanoate
4((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)OC
CCC(=O)Oc1ccc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)Cl)C
InChI=1SC21H19ClN2O4c1420(25)28189814(1119(18)273)101713(2)2324(21(17)26)1675615(22)1216h512H4H213H3b1710
MFCD01363490
ZINC000005428316
ZINC5428316

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Available files

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