Vitas-M small molecule compound

methyl 4-({[2-(tert-butylcarbamoyl)phenyl]carbamothioyl}amino)-4-oxobutanoate

Catalog ID
STL064743
SMILES COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(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 C17H23N3O4S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O4S/c1-17(2,3)20-15(23)11-7-5-6-8-12(11)18-16(25)19-13(21)9-10-14(22)24-4/h5-8H,9-10H2,1-4H3,(H,20,23)(H2,18,19,21,25)
InChIKey
UUDLUJPPZVYKNM-UHFFFAOYSA-N
Synonyms

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC
InChI=1SC17H23N3O4Sc117(23)2015(23)11756812(11)1816(25)1913(21)91014(22)244h58H910H214H3(H2023)(H218192125)
methyl4(((2(tertbutylcarbamoyl)phenyl)carbamothioyl)amino)4oxobutanoate
METHYL4((2(TERTBUTYLCARBAMOYL)PHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
MFCD05875213
ZINC000008556720
ZINC08556720
ZINC8556720

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Available files

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