Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL056114
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)[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 C20H17N9O4S MW 479.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N9O4S/c1-12-5-7-15(8-6-12)34-11-16-17(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-13-3-2-4-14(9-13)29(31)32/h2-10H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
FEAWOPTZZSWAPT-LSHDLFTRSA-NSynonyms
714233-08-6(E)1(4amino125oxadiazol3yl)N(3nitrobenzylidene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)N((E)(3nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((4METHYLPHENYL)SULFANYLMETHYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
714233086
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H17N9O4Sc1125715(8612)34111617(232728(16)1918(21)25332619)20(30)2422101332414(913)29(31)32h210H11H21H3(H22125)(H2430)b2210+
MFCD05686015
ZINC000001823961
ZINC33345064
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