Vitas-M small molecule compound
6-{(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}hexanoic acid
Catalog ID
STK995587
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2cc3cc4OCOc4cc3[nH]c2=O)/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 C20H18N2O6S2 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S2/c23-17(24)4-2-1-3-5-22-19(26)16(30-20(22)29)8-12-6-11-7-14-15(28-10-27-14)9-13(11)21-18(12)25/h6-9H,1-5,10H2,(H,21,25)(H,23,24)/b16-8-InChIKey
CHYVVHRXBWZFDI-PXNMLYILSA-NSynonyms
(E)6(4oxo5((6oxo56dihydro(13)dioxolo(45g)quinolin7yl)methylene)2thioxothiazolidin3yl)hexanoicacid
6((5Z)4oxo5((6oxo56dihydro(13)dioxolo(45g)quinolin7yl)methylidene)2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)4oxo5((6oxo5H(13)dioxolo(45g)quinolin7yl)methylidene)2sulfanylidene13thiazolidin3yl)hexanoicacid
6(4OXO5((6OXO(5HYDRO2H13DIOXOLANO(45G)QUINOLIN7YL))METHYLENE)2THIOXO13THIAZOLIDIN3YL)HEXANOICACID
C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=C4C(=O)N(C(=S)S4)CCCCCC(=O)O
InChI=1SC20H18N2O6S2c2317(24)421352219(26)16(3020(22)29)81261171415(28102714)913(11)2118(12)25h69H1510H2(H2125)(H2324)b168
MFCD18185279
OC(=O)CCCCCN1C(=S)SC(=Cc2cc3cc4OCOc4cc3(nH)c2=O)C1=O
ZINC000051330785
ZINC51330785
Check stock
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Check stock on Vitas-MAvailable files
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