Vitas-M small molecule compound
(5E)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418999
SMILES O=C1/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/SC(=S)N1n1c(C)ccc1C
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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 C20H15N3O4S2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S2/c1-12-3-4-13(2)21(12)22-19(24)18(29-20(22)28)11-16-9-10-17(27-16)14-5-7-15(8-6-14)23(25)26/h3-11H,1-2H3/b18-11+InChIKey
KDGSKAJKUHNKGL-WOJGMQOQSA-NSynonyms
(5E)3(25dimethyl1Hpyrrol1yl)5((5(4nitrophenyl)furan2yl)methylidene)2thioxo13thiazolidin4one
(5E)3(25DIMETHYLPYRROL1YL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC=C(N1N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))SC2=S)C
InChI=1SC20H15N3O4S2c1123413(2)21(12)2219(24)18(2920(22)28)111691017(2716)145715(8614)23(25)26h311H12H3b1811+
MFCD03720618
O=C1C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))SC(=S)N1n1c(C)ccc1C
ZINC000013546242
ZINC13546242
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