Vitas-M small molecule compound
2-bromo-4-nitro-6-[(E)-{2-[(2E)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl benzoate
Catalog ID
STK669793
SMILES O=C(/C(=C\c1cccs1)/NC(=O)c1ccccc1)N/N=C/c1cc(cc(c1OC(=O)c1ccccc1)Br)[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 C28H19BrN4O6S MW 619.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19BrN4O6S/c29-23-15-21(33(37)38)14-20(25(23)39-28(36)19-10-5-2-6-11-19)17-30-32-27(35)24(16-22-12-7-13-40-22)31-26(34)18-8-3-1-4-9-18/h1-17H,(H,31,34)(H,32,35)/b24-16+,30-17+InChIKey
NXECMCABMXJXFS-YZOKFQGHSA-NSynonyms
(2((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)6bromo4nitrophenyl)benzoate
2bromo4nitro6((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenylbenzoate
C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NN=CC3=CC(=CC(=C3OC(=O)C4=CC=CC=C4)Br)(N+)(=O)(O)
InChI=1SC28H19BrN4O6Sc29231521(33(37)38)1420(25(23)3928(36)19105261119)17303227(35)24(1622127134022)3126(34)188314918h117H(H3134)(H3235)b2416+3017+
MFCD00735948
O=C(C(=Cc1cccs1)NC(=O)c1ccccc1)NN=Cc1cc(cc(c1OC(=O)c1ccccc1)Br)(N+)(=O)(O)
ZINC000150349324
ZINC150608513
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