Vitas-M small molecule compound
2-[(4-{(E)-[3-(3,4-dichlorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-nitrophenyl)sulfanyl]ethyl benzoate
Catalog ID
STL367483
SMILES O=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])SCCOC(=O)c2ccccc2)/C(=O)N1Cc1ccc(c(c1)Cl)Cl
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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 C26H18Cl2N2O6S2 MW 589.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N2O6S2/c27-19-8-6-17(12-20(19)28)15-29-24(31)23(38-26(29)33)14-16-7-9-22(21(13-16)30(34)35)37-11-10-36-25(32)18-4-2-1-3-5-18/h1-9,12-14H,10-11,15H2/b23-14+InChIKey
SAGGSGFQJOTOTF-OEAKJJBVSA-NSynonyms
2((4((E)(3(34dichlorobenzyl)24dioxo13thiazolidin5ylidene)methyl)2nitrophenyl)sulfanyl)ethylbenzoate
2(4((E)(3((34dichlorophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)2nitrophenyl)sulfanylethylbenzoate
C1=CC=C(C=C1)C(=O)OCCSC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)(N+)(=O)(O)
InChI=1SC26H18Cl2N2O6S2c27198617(1220(19)28)152924(31)23(3826(29)33)14167922(21(1316)30(34)35)3711103625(32)184213518h191214H101115H2b2314+
MFCD28951821
O=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))SCCOC(=O)c2ccccc2)C(=O)N1Cc1ccc(c(c1)Cl)Cl
ZINC000101103930
ZINC101103930
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