Vitas-M small molecule compound

methyl 4-(4-chlorophenyl)-2-{[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK423345
SMILES COC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)c1sc2c(c1Cl)ccc(c2)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 C21H12Cl3NO3S2 MW 496.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Cl3NO3S2/c1-28-21(27)16-14(10-2-4-11(22)5-3-10)9-29-20(16)25-19(26)18-17(24)13-7-6-12(23)8-15(13)30-18/h2-9H,1H3,(H,25,26)
InChIKey
QVXMYIZFBUEIRC-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl
InChI=1SC21H12Cl3NO3S2c12821(27)1614(102411(22)5310)92920(16)2519(26)1817(24)137612(23)815(13)3018h29H1H3(H2526)
METHYL2((36DICHLOROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
METHYL4(4CHLOROPHENYL)2(((36DICHLORO1BENZOTHIEN2YL)CARBONYL)AMINO)3THIOPHENECARBOXYLATE
methyl4(4chlorophenyl)2(((36dichloro1benzothiophen2yl)carbonyl)amino)thiophene3carboxylate
METHYL4(4CHLOROPHENYL)2((36DICHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02176119
ZINC000002088763
ZINC02088763
ZINC2088763

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Available files

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