Vitas-M small molecule compound

2-(4-{(E)-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-N-(3-nitrophenyl)acetamide

Catalog ID
STK320360
SMILES COc1cc(ccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)F

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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 C25H17ClFN3O6S2 MW 574.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClFN3O6S2/c1-35-21-9-14(10-22-24(32)29(25(37)38-22)16-6-7-19(27)18(26)12-16)5-8-20(21)36-13-23(31)28-15-3-2-4-17(11-15)30(33)34/h2-12H,13H2,1H3,(H,28,31)/b22-10+
InChIKey
PVGCAMIRCIWGMM-LSHDLFTRSA-N
Synonyms

2(4((E)(3(3chloro4fluorophenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenoxy)N(3nitrophenyl)acetamide
2(4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)N(3NITROPHENYL)ACETAMIDE
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)OCC(=O)NC4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(ccc1OCC(=O)Nc1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
InChI=1SC25H17ClFN3O6S2c13521914(102224(32)29(25(37)3822)166719(27)18(26)1216)5820(21)361323(31)281532417(1115)30(33)34h212H13H21H3(H2831)b2210+
MFCD05041015
ZINC000100319321
ZINC100319321

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Available files

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