Vitas-M small molecule compound

dimethyl 5-[(propanoylcarbamothioyl)amino]benzene-1,3-dicarboxylate

Catalog ID
STK143672
SMILES CCC(=O)NC(=S)Nc1cc(cc(c1)C(=O)OC)C(=O)OC

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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 C14H16N2O5S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O5S/c1-4-11(17)16-14(22)15-10-6-8(12(18)20-2)5-9(7-10)13(19)21-3/h5-7H,4H2,1-3H3,(H2,15,16,17,22)
InChIKey
OBPFYFFZDYIEIF-UHFFFAOYSA-N
Synonyms

CCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
DIMETHYL5((PROPANOYLCARBAMOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(PROPANOYLCARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC14H16N2O5Sc1411(17)1614(22)151068(12(18)202)59(710)13(19)213h57H4H213H3(H215161722)
MFCD03306912
ZINC000000308720
ZINC00308720
ZINC308720

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Available files

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