Vitas-M small molecule compound
4-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate
Catalog ID
STL427375
SMILES CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)c2cccc(c2)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 C21H19NO4S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S2/c1-4-22-19(23)18(28-21(22)27)12-14-8-9-16(17(11-14)25-3)26-20(24)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3/b18-12+InChIKey
QIRIIKZUOKPRFW-LDADJPATSA-NSynonyms
(4((E)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)3METHYLBENZOATE
4((E)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3methylbenzoate
CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)C)OC)SC1=S
CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2cccc(c2)C)C1=O
InChI=1SC21H19NO4S2c142219(23)18(2821(22)27)12148916(17(1114)253)2620(24)1575613(2)1015h512H4H213H3b1812+
MFCD01963364
ZINC000005201091
ZINC05201091
ZINC5201091
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