Vitas-M small molecule compound
2-methoxy-6-[(E)-{2-[(3-nitrophenyl)carbonyl]hydrazinylidene}methyl]phenyl benzenesulfonate
Catalog ID
STL383420
SMILES COc1cccc(c1OS(=O)(=O)c1ccccc1)/C=N/NC(=O)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 C21H17N3O7S MW 455.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O7S/c1-30-19-12-6-8-16(20(19)31-32(28,29)18-10-3-2-4-11-18)14-22-23-21(25)15-7-5-9-17(13-15)24(26)27/h2-14H,1H3,(H,23,25)/b22-14+InChIKey
NENLMTFHAOFOIX-HYARGMPZSA-NSynonyms
402784-08-1(2METHOXY6((E)((3NITROBENZOYL)HYDRAZINYLIDENE)METHYL)PHENYL)BENZENESULFONATE
2(2(3NITROBENZOYL)CARBOHYDRAZONOYL)6METHOXYPHENYLBENZENESULFONATE
2methoxy6((E)(2((3nitrophenyl)carbonyl)hydrazinylidene)methyl)phenylbenzenesulfonate
402784081
COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1cccc(c1OS(=O)(=O)c1ccccc1)C=NNC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H17N3O7Sc13019126816(20(19)3132(2829)18103241118)14222321(25)1575917(1315)24(26)27h214H1H3(H2325)b2214+
MFCD02609393
ZINC000002077211
ZINC15986007
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