Vitas-M small molecule compound

methyl 4-{[(2,5-dichlorophenyl)carbamothioyl]amino}-4-oxobutanoate

Catalog ID
STL064407
SMILES COC(=O)CCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl

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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 C12H12Cl2N2O3S MW 335.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12Cl2N2O3S/c1-19-11(18)5-4-10(17)16-12(20)15-9-6-7(13)2-3-8(9)14/h2-3,6H,4-5H2,1H3,(H2,15,16,17,20)
InChIKey
BIMMHWHAXABIMG-UHFFFAOYSA-N
Synonyms

COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)Cl)Cl
InChI=1SC12H12Cl2N2O3Sc11911(18)5410(17)1612(20)15967(13)238(9)14h236H45H21H3(H215161720)
METHYL4((((25DICHLOROPHENYL)AMINO)CARBONOTHIOYL)AMINO)4OXOBUTANOATE
methyl4(((25dichlorophenyl)carbamothioyl)amino)4oxobutanoate
METHYL4((25DICHLOROPHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
MFCD05870562
ZINC000002884139
ZINC02884139
ZINC2884139

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Available files

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