Vitas-M small molecule compound
2-methoxy-4-[(E)-(3-{[(4-methylphenyl)carbonyl]amino}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STK809187
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C
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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 C26H19ClN2O5S2 MW 539.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O5S2/c1-15-3-6-17(7-4-15)23(30)28-29-24(31)22(36-26(29)35)14-16-5-12-20(21(13-16)33-2)34-25(32)18-8-10-19(27)11-9-18/h3-14H,1-2H3,(H,28,30)/b22-14+InChIKey
RSQPPYJPTIHPQS-HYARGMPZSA-NSynonyms
(2METHOXY4((E)(3((4METHYLBENZOYL)AMINO)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
2methoxy4((E)(3(((4methylphenyl)carbonyl)amino)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4chlorobenzoate
CC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)OC)SC2=S
COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C=C1SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C
InChI=1SC26H19ClN2O5S2c1153617(7415)23(30)282924(31)22(3626(29)35)141651220(21(1316)332)3425(32)1881019(27)11918h314H12H3(H2830)b2214+
MFCD03461246
ZINC000097946047
ZINC97946047
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