Vitas-M small molecule compound
(4Z)-1-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]pyrazolidine-3,5-dione
Catalog ID
STK330912
SMILES COc1cc(/C=C\2/C(=O)NN(C2=O)c2cccc(c2)Cl)cc2c1oc(=O)s2
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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 C18H11ClN2O5S MW 402.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11ClN2O5S/c1-25-13-6-9(7-14-15(13)26-18(24)27-14)5-12-16(22)20-21(17(12)23)11-4-2-3-10(19)8-11/h2-8H,1H3,(H,20,22)/b12-5-InChIKey
OSEZHGNDVGKLNT-XGICHPGQSA-NSynonyms
(4Z)1(3chlorophenyl)4((7methoxy2oxo13benzoxathiol5yl)methylidene)pyrazolidine35dione
COC1=C2C(=CC(=C1)C=C3C(=O)NN(C3=O)C4=CC(=CC=C4)Cl)SC(=O)O2
COc1cc(C=C2C(=O)NN(C2=O)c2cccc(c2)Cl)cc2c1oc(=O)s2
InChI=1SC18H11ClN2O5Sc1251369(71415(13)2618(24)2714)51216(22)2021(17(12)23)1142310(19)811h28H1H3(H2022)b125
MFCD09962396
ZINC000000850314
ZINC00850314
ZINC850314
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