Vitas-M small molecule compound

ethyl 4-[(3,5-dimethylphenyl)carbamothioyl]piperazine-1-carboxylate

Catalog ID
STK030009
SMILES CCOC(=O)N1CCN(CC1)C(=S)Nc1cc(C)cc(c1)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 C16H23N3O2S MW 321.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O2S/c1-4-21-16(20)19-7-5-18(6-8-19)15(22)17-14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3,(H,17,22)
InChIKey
YPASCARBPATSAW-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=S)Nc1cc(C)cc(c1)C
CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C)C
ETHYL4(((35DIMETHYLPHENYL)AMINO)THIOXOMETHYL)PIPERAZINECARBOXYLATE
ETHYL4((35DIMETHYLPHENYL)CARBAMOTHIOYL)PIPERAZINE1CARBOXYLATE
InChI=1SC16H23N3O2Sc142116(20)197518(6819)15(22)17141012(2)913(3)1114h911H48H213H3(H1722)
MFCD03352510
STK030009
ZINC000000468237
ZINC00468237
ZINC468237

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Available files

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