Vitas-M small molecule compound
2-methoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzenesulfonate
Catalog ID
STL428440
SMILES C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OS(=O)(=O)c2ccc(cc2)F)/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 C20H16FNO5S3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FNO5S3/c1-3-10-22-19(23)18(29-20(22)28)12-13-4-9-16(17(11-13)26-2)27-30(24,25)15-7-5-14(21)6-8-15/h3-9,11-12H,1,10H2,2H3/b18-12-InChIKey
ARMYTLNIPCPJNA-PDGQHHTCSA-NSynonyms
(2METHOXY4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4FLUOROBENZENESULFONATE
2methoxy4((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenyl4fluorobenzenesulfonate
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OS(=O)(=O)c2ccc(cc2)F)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=C(C=C3)F
InChI=1SC20H16FNO5S3c13102219(23)18(2920(22)28)12134916(17(1113)262)2730(2425)157514(21)6815h391112H110H22H3b1812
MFCD30710610
ZINC000033398537
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