Vitas-M small molecule compound
4-{(5E)-5-[(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK625284
SMILES OC(=O)CCCN1C(=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 C18H13ClN2O5S2 MW 436.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O5S2/c19-16-10(4-9-5-12-13(26-8-25-12)7-11(9)20-16)6-14-17(24)21(18(27)28-14)3-1-2-15(22)23/h4-7H,1-3,8H2,(H,22,23)/b14-6+InChIKey
MGRJXQIISCOLAP-MKMNVTDBSA-NSynonyms
951940-24-2(E)4(5((6chloro(13)dioxolo(45g)quinolin7yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5E)5((6chloro(13)dioxolo(45g)quinolin7yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
4((5E)5((6chloro(13)dioxolo(45g)quinolin7yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
951940242
C1OC2=CC3=CC(=C(N=C3C=C2O1)Cl)C=C4C(=O)N(C(=S)S4)CCCC(=O)O
InChI=1SC18H13ClN2O5S2c191610(4951213(2682512)711(9)2016)61417(24)21(18(27)2814)31215(22)23h47H138H2(H2223)b146+
MFCD09853006
OC(=O)CCCN1C(=O)C(=Cc2cc3cc4OCOc4cc3nc2Cl)SC1=S
ZINC000013691934
ZINC13691934
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