Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL049120
SMILES O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1ccccc1[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 C16H14N12O4S MW 470.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N12O4S/c1-26-8-19-22-16(26)33-7-11-12(20-25-27(11)14-13(17)23-32-24-14)15(29)21-18-6-9-4-2-3-5-10(9)28(30)31/h2-6,8H,7H2,1H3,(H2,17,23)(H,21,29)/b18-6+InChIKey
QWNANDHIXGMFAI-NGYBGAFCSA-NSynonyms
714228-47-4(E)1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)thio)methyl)N(2nitrobenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)N((E)(2nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)N((E)(2nitrophenyl)methylideneamino)triazole4carboxamide
714228474
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC16H14N12O4Sc1268192216(26)3371112(202527(11)1413(17)23322414)15(29)211869423510(9)28(30)31h268H7H21H3(H21723)(H2129)b186+
MFCD05677762
O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)NN=Cc1ccccc1(N+)(=O)(O)
ZINC000009232529
ZINC103116693
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