Vitas-M small molecule compound
benzyl 2-chloro-5-(5-{(E)-[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK202635
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)C(=O)OCc1ccccc1)Cl)c1[nH]nnn1
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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 C24H17ClN6O4 MW 488.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN6O4/c1-14-18(22(32)31(28-14)24-26-29-30-27-24)12-17-8-10-21(35-17)16-7-9-20(25)19(11-16)23(33)34-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,27,29,30)/b18-12+InChIKey
BLFWRFNKVJBEFD-LDADJPATSA-NSynonyms
benzyl2chloro5(5((E)(3methyl5oxo1(1Htetrazol5yl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
benzyl2chloro5(5((E)(3methyl5oxo1(2Htetrazol5yl)pyrazol4ylidene)methyl)furan2yl)benzoate
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)OCc1ccccc1)Cl)c1(nH)nnn1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4)C5=NNN=N5
InChI=1SC24H17ClN6O4c11418(22(32)31(2814)242629302724)121781021(3517)167920(25)19(1116)23(33)3413155324615h212H13H21H3(H26272930)b1812+
MFCD07433610
ZINC000102570481
ZINC102570481
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