Vitas-M small molecule compound
methyl {2-bromo-6-ethoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
Catalog ID
STL380263
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)C)cc(c1OCC(=O)OC)Br
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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 C16H16BrNO5S2 MW 446.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO5S2/c1-4-22-11-6-9(7-12-15(20)18(2)16(24)25-12)5-10(17)14(11)23-8-13(19)21-3/h5-7H,4,8H2,1-3H3/b12-7+InChIKey
KLZKFLKLIVPZBB-KPKJPENVSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C)Br)OCC(=O)OC
CCOc1cc(C=C2SC(=S)N(C2=O)C)cc(c1OCC(=O)OC)Br
InChI=1SC16H16BrNO5S2c14221169(71215(20)18(2)16(24)2512)510(17)14(11)23813(19)213h57H48H213H3b127+
methyl(2bromo6ethoxy4((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
methyl2(2bromo6ethoxy4((E)(3methyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)acetate
MFCD05101908
ZINC000015009012
ZINC15009012
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