Vitas-M small molecule compound
(5E)-5-[(6-hydroxy[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-3-(3-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK627455
SMILES COc1cccc(c1)N1C(=S)S/C(=C/c2cc3cc4OCOc4cc3nc2O)/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 C21H14N2O5S2 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O5S2/c1-26-14-4-2-3-13(8-14)23-20(25)18(30-21(23)29)7-12-5-11-6-16-17(28-10-27-16)9-15(11)22-19(12)24/h2-9H,10H2,1H3,(H,22,24)/b18-7+InChIKey
IWURSGWQTACBQJ-CNHKJKLMSA-NSynonyms
(5E)5((6hydroxy(13)dioxolo(45g)quinolin7yl)methylidene)3(3methoxyphenyl)2thioxo13thiazolidin4one
7((E)(3(3methoxyphenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)5H(13)dioxolo(45g)quinolin6one
COc1cccc(c1)N1C(=S)SC(=Cc2cc3cc4OCOc4cc3nc2O)C1=O
InChI=1SC21H14N2O5S2c1261442313(814)2320(25)18(3021(23)29)71251161617(28102716)915(11)2219(12)24h29H10H21H3(H2224)b187+
MFCD09791081
ZINC000009419695
ZINC09419695
ZINC13552842
ZINC9419695
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