Vitas-M small molecule compound
4-{(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate
Catalog ID
STK759815
SMILES CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)Br)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 C21H19BrN2O4 MW 443.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4/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
ZSXZGIUXNXLQSS-YVLHZVERSA-NSynonyms
(4((Z)(1(3BROMOPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)2METHOXYPHENYL)PROPANOATE
4((1(3BROMOPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)2METHOXYPHENYLPROPIONATE
4((Z)(1(3bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Br)C)OC
CCC(=O)Oc1ccc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)Br)C
InChI=1SC21H19BrN2O4c1420(25)28189814(1119(18)273)101713(2)2324(21(17)26)1675615(22)1216h512H4H213H3b1710
MFCD01572814
ZINC000000707858
ZINC00707858
ZINC707858
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