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 benzoate
Catalog ID
STL427714
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=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 C21H17NO4S2 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO4S2/c1-3-11-22-19(23)18(28-21(22)27)13-14-9-10-16(17(12-14)25-2)26-20(24)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b18-13+InChIKey
RNAAUQBRLNBYRQ-QGOAFFKASA-NSynonyms
(2METHOXY4((E)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)BENZOATE
2methoxy4((E)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenylbenzoate
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2ccccc2)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=CC=C3
InChI=1SC21H17NO4S2c13112219(23)18(2821(22)27)131491016(17(1214)252)2620(24)157546815h3101213H111H22H3b1813+
MFCD01335247
ZINC000005526661
ZINC05526661
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