Vitas-M small molecule compound

[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK732948
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)Cl)c2ccccc2)/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 C21H14ClN3O3S2 MW 455.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O3S2/c22-15-8-6-13(7-9-15)19-14(11-25(23-19)16-4-2-1-3-5-16)10-17-20(28)24(12-18(26)27)21(29)30-17/h1-11H,12H2,(H,26,27)/b17-10-
InChIKey
POKLAPYLFQIXIW-YVLHZVERSA-N
Synonyms

((5Z)5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((3(4CHLOROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)ACETICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=S)S4)CC(=O)O
InChI=1SC21H14ClN3O3S2c22158613(7915)1914(1125(2319)164213516)101720(28)24(1218(26)27)21(29)3017h111H12H2(H2627)b1710
MFCD04162818
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)Cl)c2ccccc2)C1=O
ZINC000002407700
ZINC2407700

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Available files

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