Vitas-M small molecule compound
4-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK013915
SMILES CCN1C(=S)S/C(=C/c2cc(I)c(c(c2)OC)OS(=O)(=O)c2ccc(cc2)C)/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 C20H18INO5S3 MW 575.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18INO5S3/c1-4-22-19(23)17(29-20(22)28)11-13-9-15(21)18(16(10-13)26-3)27-30(24,25)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3/b17-11+InChIKey
NOSUYEMLPFTOCY-GZTJUZNOSA-NSynonyms
(4((E)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2IODO6METHOXYPHENYL)4METHYLBENZENESULFONATE
4((E)(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2IODO6METHOXYPHENYL4METHYLBENZENESULFONATE
CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OS(=O)(=O)C3=CC=C(C=C3)C)OC)SC1=S
CCN1C(=S)SC(=Cc2cc(I)c(c(c2)OC)OS(=O)(=O)c2ccc(cc2)C)C1=O
InChI=1SC20H18INO5S3c142219(23)17(2920(22)28)1113915(21)18(16(1013)263)2730(2425)147512(2)6814h511H4H213H3b1711+
MFCD02122737
STK013915
ZINC000006470437
ZINC6470437
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