Vitas-M small molecule compound
ethyl (5Z)-5-(3-bromobenzylidene)-2-[(2,4-dichlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK013058
SMILES CCOC(=O)C1=C(S/C(=C\c2cccc(c2)Br)/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 C20H14BrCl2NO3S MW 499.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrCl2NO3S/c1-2-27-20(26)17-18(25)16(9-11-4-3-5-12(21)8-11)28-19(17)24-15-7-6-13(22)10-14(15)23/h3-10,24H,2H2,1H3/b16-9-InChIKey
VYFYQCZAUDHPFI-SXGWCWSVSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)Br)C1=O)NC3=C(C=C(C=C3)Cl)Cl
CCOC(=O)C1=C(SC(=Cc2cccc(c2)Br)C1=O)Nc1ccc(cc1Cl)Cl
ETHYL(5Z)5((3BROMOPHENYL)METHYLIDENE)2(24DICHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3BROMOBENZYLIDENE)2((24DICHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H14BrCl2NO3Sc122720(26)1718(25)16(91143512(21)811)2819(17)24157613(22)1014(15)23h31024H2H21H3b169
MFCD08049491
STK013058
ZINC000008983705
ZINC08983705
ZINC8983705
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