Vitas-M small molecule compound
ethyl (2,6-dichloro-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STK088991
SMILES CCOC(=O)COc1c(Cl)cc(cc1Cl)/C=C\1/SC(=O)N(C1=O)CC#C
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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 C17H13Cl2NO5S MW 414.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2NO5S/c1-3-5-20-16(22)13(26-17(20)23)8-10-6-11(18)15(12(19)7-10)25-9-14(21)24-4-2/h1,6-8H,4-5,9H2,2H3/b13-8+InChIKey
BQENCIUJRQLYHS-MDWZMJQESA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC#C)Cl
CCOC(=O)COc1c(Cl)cc(cc1Cl)C=C1SC(=O)N(C1=O)CC#C
ETHYL(26DICHLORO4((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(26DICHLORO4((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC17H13Cl2NO5Sc1352016(22)13(2617(20)23)810611(18)15(12(19)710)25914(21)2442h168H459H22H3b138+
MFCD03141732
STK088991
ZINC000001157675
ZINC01157675
ZINC1157675
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