Vitas-M small molecule compound
4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate
Catalog ID
STL406417
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C/1\SC(=N)NC1=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 C17H13N3O7S2 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O7S2/c1-26-13-8-10(9-14-16(21)19-17(18)28-14)6-7-12(13)27-29(24,25)15-5-3-2-4-11(15)20(22)23/h2-9H,1H3,(H2,18,19,21)/b14-9-InChIKey
XCFXGKFCUHHNBY-ZROIWOOFSA-NSynonyms
(4((Z)(2AMINO4OXO13THIAZOL5YLIDENE)METHYL)2METHOXYPHENYL)2NITROBENZENESULFONATE
4((Z)(2imino4oxo13thiazolidin5ylidene)methyl)2methoxyphenyl2nitrobenzenesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1SC(=N)NC1=O
InChI=1SC17H13N3O7S2c12613810(91416(21)1917(18)2814)6712(13)2729(2425)15532411(15)20(22)23h29H1H3(H2181921)b149
MFCD02638688
ZINC000015800417
ZINC15800417
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