Vitas-M small molecule compound
7-{[(3,5-dinitrophenyl)carbonyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK249750
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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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 C17H14N8O8S2 MW 522.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N8O8S2/c1-22-17(19-20-21-22)35-6-8-5-34-15-11(14(27)23(15)12(8)16(28)29)18-13(26)7-2-9(24(30)31)4-10(3-7)25(32)33/h2-4,11,15H,5-6H2,1H3,(H,18,26)(H,28,29)InChIKey
GBABPJGGGUQKCG-UHFFFAOYSA-NSynonyms
7(((35DINITROPHENYL)CARBONYL)AMINO)3(((1METHYL1HTETRAZOL5YL)SULFANYL)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((35DINITROBENZOYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))SC2)C(=O)O
InChI=1SC17H14N8O8S2c12217(19202122)35685341511(14(27)23(15)12(8)16(28)29)1813(26)729(24(30)31)410(37)25(32)33h241115H56H21H3(H1826)(H2829)
MFCD08673604
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
ZINC000102549451
ZINC000102549462
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.