Vitas-M small molecule compound
3-{(5E)-5-[(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK639961
SMILES OC(=O)CCN1C(=O)/C(=C\c2cc3cc4OCOc4cc3nc2Cl)/SC1=S
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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 C17H11ClN2O5S2 MW 422.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O5S2/c18-15-9(3-8-4-11-12(25-7-24-11)6-10(8)19-15)5-13-16(23)20(17(26)27-13)2-1-14(21)22/h3-6H,1-2,7H2,(H,21,22)/b13-5+InChIKey
WDJHZXBUERIRNT-WLRTZDKTSA-NSynonyms
951931-32-1(E)3(5((6chloro(13)dioxolo(45g)quinolin7yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5E)5((6chloro(13)dioxolo(45g)quinolin7yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoicacid
3((5E)5((6chloro(13)dioxolo(45g)quinolin7yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
951931321
C1OC2=CC3=CC(=C(N=C3C=C2O1)Cl)C=C4C(=O)N(C(=S)S4)CCC(=O)O
InChI=1SC17H11ClN2O5S2c18159(3841112(2572411)610(8)1915)51316(23)20(17(26)2713)2114(21)22h36H127H2(H2122)b135+
MFCD09856292
OC(=O)CCN1C(=O)C(=Cc2cc3cc4OCOc4cc3nc2Cl)SC1=S
ZINC000013725790
ZINC13725790
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