Vitas-M small molecule compound

4-[(Z)-{3-[4-(diethylamino)phenyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

Catalog ID
STK993947
SMILES CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2)C(=O)O)/C1=O)CC

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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 C21H20N2O3S2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S2/c1-3-22(4-2)16-9-11-17(12-10-16)23-19(24)18(28-21(23)27)13-14-5-7-15(8-6-14)20(25)26/h5-13H,3-4H2,1-2H3,(H,25,26)/b18-13-
InChIKey
XJVCXTCRKZYGND-AQTBWJFISA-N
Synonyms
306324-07-2
306324072
4((3(4(DIETHYLAMINO)PHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((Z)(3(4(DIETHYLAMINO)PHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((Z)(3(4(diethylamino)phenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoicacid
CCN(c1ccc(cc1)N1C(=S)SC(=Cc2ccc(cc2)C(=O)O)C1=O)CC
CCN(CC)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S
InChI=1SC21H20N2O3S2c1322(42)1691117(121016)2319(24)18(2821(23)27)13145715(8614)20(25)26h513H34H212H3(H2526)b1813
MFCD01164827
ZINC000001236392
ZINC1236392

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Available files

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