Vitas-M small molecule compound

2-chloro-5-(5-{(Z)-[4-oxo-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STL369243
SMILES S=C1S/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C(=O)N1Cc1cccnc1

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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 C21H13ClN2O4S2 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O4S2/c22-16-5-3-13(8-15(16)20(26)27)17-6-4-14(28-17)9-18-19(25)24(21(29)30-18)11-12-2-1-7-23-10-12/h1-10H,11H2,(H,26,27)/b18-9-
InChIKey
ULYKMUAVDIFCPY-NVMNQCDNSA-N
Synonyms

2CHLORO5(5((Z)(4OXO3(3PYRIDYLMETHYL)2THIOXOTHIAZOLIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO5(5((Z)(4OXO3(PYRIDIN1IUM3YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
2CHLORO5(5((Z)(4OXO3(PYRIDIN3YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro5(5((Z)(4oxo3(pyridin3ylmethyl)2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
BENZOICACID2CHLORO5(5((Z)(4OXO3(3PYRIDINYLMETHYL)2THIOXO5THIAZOLIDINYLIDENE)METHYL)2FURANYL)
C1=CC(=C(NH+)=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)(O))SC2=S
InChI=1SC21H13ClN2O4S2c22165313(815(16)20(26)27)176414(2817)91819(25)24(21(29)3018)1112217231012h110H11H2(H2627)b189
MFCD03705711
S=C1SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N1Cc1cccnc1
ZINC000002986403
ZINC2986403

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Available files

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