Vitas-M small molecule compound

methyl 4-[(benzylcarbamothioyl)amino]-4-oxobutanoate

Catalog ID
STK947884
SMILES COC(=O)CCC(=O)NC(=S)NCc1ccccc1

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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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-18-12(17)8-7-11(16)15-13(19)14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,15,16,19)
InChIKey
SOUIHCXXCDSUCK-UHFFFAOYSA-N
Synonyms

COC(=O)CCC(=O)NC(=S)NCC1=CC=CC=C1
InChI=1SC13H16N2O3Sc11812(17)8711(16)1513(19)149105324610h26H79H21H3(H214151619)
methyl4((benzylcarbamothioyl)amino)4oxobutanoate
METHYL4(3BENZYLTHIOUREIDO)4OXOBUTANOATE
METHYL4(BENZYLCARBAMOTHIOYLAMINO)4OXOBUTANOATE
MFCD03586636
ZINC000001893085
ZINC01893085
ZINC1893085

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Available files

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