Vitas-M small molecule compound
2-bromo-4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl 4-nitrobenzenesulfonate
Catalog ID
STL382798
SMILES COc1cc(/C=C/2\SC(=N)NC2=O)cc(c1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Br
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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 C17H12BrN3O7S2 MW 514.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN3O7S2/c1-27-13-7-9(8-14-16(22)20-17(19)29-14)6-12(18)15(13)28-30(25,26)11-4-2-10(3-5-11)21(23)24/h2-8H,1H3,(H2,19,20,22)/b14-8-InChIKey
OXBXCOORUGXDFT-ZSOIEALJSA-NSynonyms
(4((Z)(2AMINO4OXO13THIAZOL5YLIDENE)METHYL)2BROMO6METHOXYPHENYL)4NITROBENZENESULFONATE
2bromo4((Z)(2imino4oxo13thiazolidin5ylidene)methyl)6methoxyphenyl4nitrobenzenesulfonate
COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=C2SC(=N)NC2=O)cc(c1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC17H12BrN3O7S2c1271379(81416(22)2017(19)2914)612(18)15(13)2830(2526)114210(3511)21(23)24h28H1H3(H2192022)b148
MFCD02215375
ZINC000105298839
ZINC105298839
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