Vitas-M small molecule compound
5-nitro-2-[(E)-({3-[(4-nitrobenzyl)sulfanyl]-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl}imino)methyl]phenol
Catalog ID
STK751921
SMILES Oc1cc(ccc1/C=N/n1cnn2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])[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 C17H12N8O5S MW 440.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N8O5S/c26-15-7-14(25(29)30)6-3-12(15)8-18-22-10-19-23-16(22)20-21-17(23)31-9-11-1-4-13(5-2-11)24(27)28/h1-8,10,26H,9H2/b18-8+InChIKey
YMFOKUAXLMGRMW-QGMBQPNBSA-NSynonyms
5nitro2((E)((3((4nitrobenzyl)sulfanyl)7H(124)triazolo(43b)(124)triazol7yl)imino)methyl)phenol
MFCD00747846
Oc1cc(ccc1C=Nn1cnn2c1nnc2SCc1ccc(cc1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003092647
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