Vitas-M small molecule compound
methyl 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK578160
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
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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 C21H18N8O4S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O4S/c1-32-21(31)14-9-7-13(8-10-14)11-23-25-20(30)17-16(12-34-15-5-3-2-4-6-15)29(28-24-17)19-18(22)26-33-27-19/h2-11H,12H2,1H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
IRSBMVFGSAJQLE-FOKLQQMPSA-NSynonyms
577769-89-2(E)methyl4((2(1(4amino125oxadiazol3yl)5((phenylthio)methyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
577769892
COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N
InChI=1SC21H18N8O4Sc13221(31)149713(81014)11232520(30)1716(1234155324615)29(282417)1918(22)26332719h211H12H21H3(H22226)(H2530)b2311+
METHYL4((E)((1(4AMINO125OXADIAZOL3YL)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2((1(4amino125oxadiazol3yl)5((phenylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD04019326
ZINC000002210872
ZINC33350495
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