Vitas-M small molecule compound
2-methoxy-4-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STL428402
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C\1/NC(=S)NC1=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 C17H13N3O7S2 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O7S2/c1-26-14-9-10(8-11-16(21)19-17(28)18-11)6-7-13(14)27-29(24,25)15-5-3-2-4-12(15)20(22)23/h2-9H,1H3,(H2,18,19,21,28)/b11-8+InChIKey
KVXWSZAFQMAXRK-DHZHZOJOSA-NSynonyms
(2METHOXY4((E)(5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY4((5OXO2THIOXO(13DIAZOLIDIN4YLIDENE))METHYL)PHENYL2NITROBENZENESULFONATE
2methoxy4((E)(5oxo2thioxoimidazolidin4ylidene)methyl)phenyl2nitrobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1NC(=S)NC1=O
InChI=1SC17H13N3O7S2c12614910(81116(21)1917(28)1811)6713(14)2729(2425)15532412(15)20(22)23h29H1H3(H218192128)b118+
MFCD03013992
ZINC000013546244
ZINC13546244
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