Vitas-M small molecule compound

(2E)-3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-5-yl)prop-2-en-1-one

Catalog ID
STK309187
SMILES COc1ccc(cc1Cn1nc(c(c1C)Cl)C)/C=C/C(=O)c1cc(nn1C)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 C21H23ClN4O2 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2/c1-13-10-18(25(4)23-13)19(27)8-6-16-7-9-20(28-5)17(11-16)12-26-15(3)21(22)14(2)24-26/h6-11H,12H2,1-5H3/b8-6+
InChIKey
FJSMIRIZASEPOX-SOFGYWHQSA-N
Synonyms
1005642-34-1
(2E)3(3((4chloro35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)1(13dimethyl1Hpyrazol5yl)prop2en1one
(E)3(3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(25DIMETHYLPYRAZOL3YL)PROP2EN1ONE
1005642341
CC1=NN(C(=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)Cl)C)C
COc1ccc(cc1Cn1nc(c(c1C)Cl)C)C=CC(=O)c1cc(nn1C)C
InChI=1SC21H23ClN4O2c1131018(25(4)2313)19(27)86167920(285)17(1116)122615(3)21(22)14(2)2426h611H12H215H3b86+
MFCD04133737
ZINC000006922176
ZINC06922176
ZINC6922176

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Available files

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