Vitas-M small molecule compound
2-methoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK068824
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)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 C18H12N2O6S2 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O6S2/c1-25-14-7-10(8-15-16(21)19-18(27)28-15)5-6-13(14)26-17(22)11-3-2-4-12(9-11)20(23)24/h2-9H,1H3,(H,19,21,27)/b15-8+InChIKey
HUZKOXWCXPIQQX-OVCLIPMQSA-NSynonyms
(2METHOXY4((E)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
2METHOXY4((4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYL3NITROBENZOATE
2METHOXY4((E)(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL3NITROBENZOATE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)NC1=O
InChI=1SC18H12N2O6S2c12514710(81516(21)1918(27)2815)5613(14)2617(22)1132412(911)20(23)24h29H1H3(H192127)b158+
MFCD01078432
STK068824
ZINC000006906842
ZINC6906842
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