Vitas-M small molecule compound
2-bromo-4-[(E)-{2-[(3-tert-butyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]-6-methoxyphenyl 4-methylbenzoate
Catalog ID
STK394336
SMILES COc1cc(/C=N/NC(=O)c2[nH]nc(c2)C(C)(C)C)cc(c1OC(=O)c1ccc(cc1)C)Br
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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 C24H25BrN4O4 MW 513.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN4O4/c1-14-6-8-16(9-7-14)23(31)33-21-17(25)10-15(11-19(21)32-5)13-26-29-22(30)18-12-20(28-27-18)24(2,3)4/h6-13H,1-5H3,(H,27,28)(H,29,30)/b26-13+InChIKey
BSKRUWWQAZEECG-LGJNPRDNSA-NSynonyms
(2bromo4((E)((5tertbutyl1Hpyrazole3carbonyl)hydrazinylidene)methyl)6methoxyphenyl)4methylbenzoate
2bromo4((E)(2((3tertbutyl1Hpyrazol5yl)carbonyl)hydrazinylidene)methyl)6methoxyphenyl4methylbenzoate
4((1E)2((3(TERTBUTYL)PYRAZOL5YL)CARBONYLAMINO)2AZAVINYL)2BROMO6METHOXYPHENYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)C3=NNC(=C3)C(C)(C)C)OC
COc1cc(C=NNC(=O)c2(nH)nc(c2)C(C)(C)C)cc(c1OC(=O)c1ccc(cc1)C)Br
InChI=1SC24H25BrN4O4c1146816(9714)23(31)332117(25)1015(1119(21)325)13262922(30)181220(282718)24(23)4h613H15H3(H2728)(H2930)b2613+
MFCD02188388
ZINC000004113031
ZINC33732090
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