Vitas-M small molecule compound
4-{(5Z)-4-oxo-5-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK995585
SMILES OC(=O)CCCN1C(=O)/C(=C/c2cc3cc4OCOc4cc3[nH]c2=O)/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 C18H14N2O6S2 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6S2/c21-15(22)2-1-3-20-17(24)14(28-18(20)27)6-10-4-9-5-12-13(26-8-25-12)7-11(9)19-16(10)23/h4-7H,1-3,8H2,(H,19,23)(H,21,22)/b14-6-InChIKey
JJUZUCBTVIRKRI-NSIKDUERSA-NSynonyms
(E)4(4oxo5((6oxo56dihydro(13)dioxolo(45g)quinolin7yl)methylene)2thioxothiazolidin3yl)butanoicacid
4((5Z)4oxo5((6oxo56dihydro(13)dioxolo(45g)quinolin7yl)methylidene)2thioxo13thiazolidin3yl)butanoicacid
4((5Z)4oxo5((6oxo5H(13)dioxolo(45g)quinolin7yl)methylidene)2sulfanylidene13thiazolidin3yl)butanoicacid
4(4OXO5((6OXO(5HYDRO2H13DIOXOLANO(45G)QUINOLIN7YL))METHYLENE)2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=C4C(=O)N(C(=S)S4)CCCC(=O)O
InChI=1SC18H14N2O6S2c2115(22)2132017(24)14(2818(20)27)6104951213(2682512)711(9)1916(10)23h47H138H2(H1923)(H2122)b146
MFCD18185277
OC(=O)CCCN1C(=O)C(=Cc2cc3cc4OCOc4cc3(nH)c2=O)SC1=S
ZINC000051330781
ZINC51330781
Check stock
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Check stock on Vitas-MAvailable files
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