Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-nitrophenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK567300
SMILES O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=C/c1c(Cl)cccc1[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 C19H14ClN9O4S MW 499.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN9O4S/c20-13-7-4-8-14(29(31)32)12(13)9-22-24-19(30)16-15(10-34-11-5-2-1-3-6-11)28(27-23-16)18-17(21)25-33-26-18/h1-9H,10H2,(H2,21,25)(H,24,30)/b22-9+InChIKey
IATGFTSATRSECS-LSFURLLWSA-NSynonyms
585559-84-8(E)1(4amino125oxadiazol3yl)N(2chloro6nitrobenzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2chloro6nitrophenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(2CHLORO6NITROPHENYL)METHYLIDENEAMINO)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
585559848
C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)(N+)(=O)(O)
InChI=1SC19H14ClN9O4Sc201374814(29(31)32)12(13)9222419(30)1615(1034115213611)28(272316)1817(21)25332618h19H10H2(H22125)(H2430)b229+
MFCD04030635
O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)NN=Cc1c(Cl)cccc1(N+)(=O)(O)
ZINC000002393474
ZINC33364910
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