Vitas-M small molecule compound

2-[(5E)-5-(3-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]acetamide

Catalog ID
STK628856
SMILES O=C(CN1C(=S)S/C(=C/c2cccc(c2)Cl)/C1=O)N[C@@H]1CSC[C@@H]1O

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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 C16H15ClN2O3S3 MW 414.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN2O3S3/c17-10-3-1-2-9(4-10)5-13-15(22)19(16(23)25-13)6-14(21)18-11-7-24-8-12(11)20/h1-5,11-12,20H,6-8H2,(H,18,21)/b13-5+/t11-,12+/m1/s1
InChIKey
HMBHGKUAAXGDIM-CWBWUIAVSA-N
Synonyms
1014409-58-5
1014409585
2((5E)5((3chlorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)N((3S4R)4hydroxythiolan3yl)acetamide
2((5E)5(3chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)N((3S4R)4hydroxytetrahydrothiophen3yl)acetamide
2((E)5(3chlorobenzylidene)4oxo2thioxothiazolidin3yl)N((3S4R)4hydroxytetrahydrothiophen3yl)acetamide
C1C(C(CS1)O)NC(=O)CN2C(=O)C(=CC3=CC(=CC=C3)Cl)SC2=S
InChI=1SC16H15ClN2O3S3c17103129(410)51315(22)19(16(23)2513)614(21)1811724812(11)20h15111220H68H2(H1821)b135+t1112+m1s1
MFCD18246509
O=C(CN1C(=S)SC(=Cc2cccc(c2)Cl)C1=O)N(C@@H)1CSC(C@@H)1O
ZINC000009547364
ZINC09547364
ZINC9547364

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Available files

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