Vitas-M small molecule compound

ethyl 2-[({4-[(3,4-dichlorophenyl)sulfamoyl]phenyl}carbamothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK466239
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(c(c2)Cl)Cl)sc(c1c1ccccc1)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 C27H23Cl2N3O4S3 MW 620.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl2N3O4S3/c1-3-36-26(33)24-23(17-7-5-4-6-8-17)16(2)38-25(24)31-27(37)30-18-9-12-20(13-10-18)39(34,35)32-19-11-14-21(28)22(29)15-19/h4-15,32H,3H2,1-2H3,(H2,30,31,37)
InChIKey
ZCWMPYDDETVTEY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=C(C=C4)Cl)Cl
ETHYL2((((4(((34DICHLOROPHENYL)AMINO)SULFONYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((4((34dichlorophenyl)sulfamoyl)phenyl)carbamothioyl)amino)5methyl4phenylthiophene3carboxylate
ethyl2((4((34dichlorophenyl)sulfamoyl)phenyl)carbamothioylamino)5methyl4phenylthiophene3carboxylate
InChI=1SC27H23Cl2N3O4S3c133626(33)2423(177546817)16(2)3825(24)3127(37)301891220(131018)39(3435)3219111421(28)22(29)1519h41532H3H212H3(H2303137)
MFCD06040657
ZINC000097948952
ZINC97948952

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Available files

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