Vitas-M small molecule compound
[(5E)-5-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL367241
SMILES OC(=O)CN1C(=S)S/C(=C/c2ccc(cc2)Oc2nc(Cl)ncc2F)/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 C16H9ClFN3O4S2 MW 425.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClFN3O4S2/c17-15-19-6-10(18)13(20-15)25-9-3-1-8(2-4-9)5-11-14(24)21(7-12(22)23)16(26)27-11/h1-6H,7H2,(H,22,23)/b11-5+InChIKey
MTOHTWUWHJZZFJ-VZUCSPMQSA-NSynonyms
((5E)5(4((2chloro5fluoropyrimidin4yl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(2chloro5fluoropyrimidin4yl)oxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)OC3=NC(=NC=C3F)Cl
InChI=1SC16H9ClFN3O4S2c171519610(18)13(2015)259318(249)51114(24)21(712(22)23)16(26)2711h16H7H2(H2223)b115+
MFCD28951681
OC(=O)CN1C(=S)SC(=Cc2ccc(cc2)Oc2nc(Cl)ncc2F)C1=O
ZINC000096191215
ZINC96191215
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