Vitas-M small molecule compound
4-nitro-2-[(E)-{2-[(2E)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl 3-bromobenzoate
Catalog ID
STK669789
SMILES Brc1cccc(c1)C(=O)Oc1ccc(cc1/C=N/NC(=O)/C(=C\c1cccs1)/NC(=O)c1ccccc1)[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/c29-21-9-4-8-19(14-21)28(36)39-25-12-11-22(33(37)38)15-20(25)17-30-32-27(35)24(16-23-10-5-13-40-23)31-26(34)18-6-2-1-3-7-18/h1-17H,(H,31,34)(H,32,35)/b24-16+,30-17+InChIKey
CUSSOCULRQXRDH-YZOKFQGHSA-NSynonyms
(2((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)4nitrophenyl)3bromobenzoate
4nitro2((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl3bromobenzoate
Brc1cccc(c1)C(=O)Oc1ccc(cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1)(N+)(=O)(O)
C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NN=CC3=C(C=CC(=C3)(N+)(=O)(O))OC(=O)C4=CC(=CC=C4)Br
InChI=1SC28H19BrN4O6Sc292194819(1421)28(36)3925121122(33(37)38)1520(25)17303227(35)24(1623105134023)3126(34)186213718h117H(H3134)(H3235)b2416+3017+
MFCD00735941
ZINC000150349321
ZINC150607033
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