Vitas-M small molecule compound

2-methoxy-4-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

Catalog ID
STK066961
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OS(=O)(=O)c2ccccc2)/C1=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 C20H17NO5S3 MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S3/c1-3-11-21-19(22)18(28-20(21)27)13-14-9-10-16(17(12-14)25-2)26-29(23,24)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b18-13+
InChIKey
ADPJSMASLDBXMZ-QGOAFFKASA-N
Synonyms
(2METHOXY4((E)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2METHOXY4((4OXO3PROP2ENYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYLBENZENESULFONATE
2METHOXY4((E)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYLBENZENESULFONATE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OS(=O)(=O)c2ccccc2)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=CC=C3
Registry IDs
MFCD02120989
ZINC000002958063
ZINC02958063
ZINC2958063

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Available files

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