Vitas-M small molecule compound
{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}(phenyl)acetic acid
Catalog ID
STL307767
SMILES S=C1S/C(=C\c2ccc3c(n2)c(Cl)ccc3)/C(=O)N1C(c1ccccc1)C(=O)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 C21H13ClN2O3S2 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O3S2/c22-15-8-4-7-12-9-10-14(23-17(12)15)11-16-19(25)24(21(28)29-16)18(20(26)27)13-5-2-1-3-6-13/h1-11,18H,(H,26,27)/b16-11-InChIKey
CINFYVFMSBOOHJ-WJDWOHSUSA-NSynonyms
((5Z)5((8chloroquinolin2yl)methylidene)4oxo2thioxo13thiazolidin3yl)(phenyl)aceticacid
(E)2(5((8chloroquinolin2yl)methylene)4oxo2thioxothiazolidin3yl)2phenylaceticacid
2((5Z)5((8chloroquinolin2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)2phenylaceticacid
2(5((8CHLORO(2QUINOLYL))METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))2PHENYLACETICACID
C1=CC=C(C=C1)C(C(=O)O)N2C(=O)C(=CC3=NC4=C(C=CC=C4Cl)C=C3)SC2=S
InChI=1SC21H13ClN2O3S2c22158471291014(2317(12)15)111619(25)24(21(28)2916)18(20(26)27)135213613h11118H(H2627)b1611
MFCD28025036
S=C1SC(=Cc2ccc3c(n2)c(Cl)ccc3)C(=O)N1C(c1ccccc1)C(=O)O
ZINC000054360920
ZINC000054360921
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