Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-chlorobenzoate
Catalog ID
STK048932
SMILES COc1cc(/C=N/NC(=O)c2[nH]nc(c2)C)ccc1OC(=O)c1ccc(cc1)Cl
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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 C20H17ClN4O4 MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O4/c1-12-9-16(24-23-12)19(26)25-22-11-13-3-8-17(18(10-13)28-2)29-20(27)14-4-6-15(21)7-5-14/h3-11H,1-2H3,(H,23,24)(H,25,26)/b22-11+InChIKey
NLDFESYIBDRCJI-SSDVNMTOSA-NSynonyms
(2methoxy4((E)((5methyl1Hpyrazole3carbonyl)hydrazinylidene)methyl)phenyl)4chlorobenzoate
2METHOXY4((E)(2((3METHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4CHLOROBENZOATE
CC1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
COc1cc(C=NNC(=O)c2(nH)nc(c2)C)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC20H17ClN4O4c112916(242312)19(26)252211133817(18(1013)282)2920(27)144615(21)7514h311H12H3(H2324)(H2526)b2211+
MFCD03032499
STK048932
ZINC000005640943
ZINC33859305
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