Vitas-M small molecule compound

ethyl (5Z)-2-[(2,4-dichlorophenyl)amino]-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK021054
SMILES CCOC(=O)C1=C(S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O)Nc1ccc(cc1Cl)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 C20H14Cl2N2O5S MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O5S/c1-2-29-20(26)17-18(25)16(9-11-4-3-5-13(8-11)24(27)28)30-19(17)23-15-7-6-12(21)10-14(15)22/h3-10,23H,2H2,1H3/b16-9-
InChIKey
FTQDLYCQDDFFJF-SXGWCWSVSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)(N+)(=O)(O))C1=O)NC3=C(C=C(C=C3)Cl)Cl
CCOC(=O)C1=C(SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O)Nc1ccc(cc1Cl)Cl
ETHYL(5Z)2((24DICHLOROPHENYL)AMINO)5(3NITROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(24DICHLOROANILINO)5((3NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H14Cl2N2O5Sc122920(26)1718(25)16(91143513(811)24(27)28)3019(17)23157612(21)1014(15)22h31023H2H21H3b169
MFCD03711860
STK021054
ZINC000006227923
ZINC06227923
ZINC6227923

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.