Vitas-M small molecule compound

methyl 4-{[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]amino}-4-oxobutanoate

Catalog ID
STK123367
SMILES COC(=O)CCC(=O)NC(=S)Nc1sc(c(c1C(=O)N)C)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 C13H17N3O4S2 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O4S2/c1-6-7(2)22-12(10(6)11(14)19)16-13(21)15-8(17)4-5-9(18)20-3/h4-5H2,1-3H3,(H2,14,19)(H2,15,16,17,21)
InChIKey
NKNMHYWYHRTWCN-UHFFFAOYSA-N
Synonyms
642943-89-3
642943893
CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)C
InChI=1SC13H17N3O4S2c167(2)2212(10(6)11(14)19)1613(21)158(17)459(18)203h45H213H3(H21419)(H215161721)
METHYL4(((3CARBAMOYL45DIMETHYLTHIOPHEN2YL)CARBAMOTHIOYL)AMINO)4OXOBUTANOATE
METHYL4((3CARBAMOYL45DIMETHYLTHIOPHEN2YL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
METHYL4(3(3CARBAMOYL45DIMETHYLTHIOPHEN2YL)THIOUREIDO)4OXOBUTANOATE
MFCD03586659
ZINC000002697828
ZINC02697828
ZINC2697828

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Available files

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