Vitas-M small molecule compound
2-methoxy-4-[(Z)-{2-[(3-nitrophenyl)carbonyl]hydrazinylidene}methyl]phenyl benzenesulfonate
Catalog ID
STL388385
SMILES COc1cc(/C=N\NC(=O)c2cccc(c2)[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1
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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/c1-30-20-12-15(10-11-19(20)31-32(28,29)18-8-3-2-4-9-18)14-22-23-21(25)16-6-5-7-17(13-16)24(26)27/h2-14H,1H3,(H,23,25)/b22-14-InChIKey
PBTNMCSWKQADQW-HMAPJEAMSA-NSynonyms
(2methoxy4((Z)((3nitrobenzoyl)hydrazinylidene)methyl)phenyl)benzenesulfonate
2methoxy4((Z)(2((3nitrophenyl)carbonyl)hydrazinylidene)methyl)phenylbenzenesulfonate
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)(N+)(=O)(O))OS(=O)(=O)C3=CC=CC=C3
COc1cc(C=NNC(=O)c2cccc(c2)(N+)(=O)(O))ccc1OS(=O)(=O)c1ccccc1
InChI=1SC21H17N3O7Sc130201215(101119(20)3132(2829)188324918)14222321(25)1665717(1316)24(26)27h214H1H3(H2325)b2214
MFCD28951213
ZINC000035005404
ZINC02774233
ZINC2774233
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