Vitas-M small molecule compound
2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}acetohydrazide
Catalog ID
STL171057
SMILES O=C(CSc1nnc(n1c1ccccc1)C)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
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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 C22H18N6O4S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O4S/c1-15-24-26-22(27(15)17-5-3-2-4-6-17)33-14-21(29)25-23-13-19-11-12-20(32-19)16-7-9-18(10-8-16)28(30)31/h2-13H,14H2,1H3,(H,25,29)/b23-13+InChIKey
NATGLMVTMRCWIZ-YDZHTSKRSA-NSynonyms
2((5METHYL4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(5(4NITROPHENYL)FURAN2YL)METHYLIDENEAMINO)ACETAMIDE
2((5methyl4phenyl4H124triazol3yl)sulfanyl)N((E)(5(4nitrophenyl)furan2yl)methylidene)acetohydrazide
CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H18N6O4Sc115242622(27(15)175324617)331421(29)25231319111220(3219)167918(10816)28(30)31h213H14H21H3(H2529)b2313+
MFCD01583674
N((5(4NITROPHENYL)2FURYL)METHYLENE)2((5METHYL4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
O=C(CSc1nnc(n1c1ccccc1)C)NN=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002096696
ZINC33348363
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