Vitas-M small molecule compound

N-[(2-cyanophenyl)carbamothioyl]butanamide

Catalog ID
STK057327
SMILES CCCC(=O)NC(=S)Nc1ccccc1C#N

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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 C12H13N3OS MW 247.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3OS/c1-2-5-11(16)15-12(17)14-10-7-4-3-6-9(10)8-13/h3-4,6-7H,2,5H2,1H3,(H2,14,15,16,17)
InChIKey
BTSGDEVQZGFWCJ-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(=S)NC1=CC=CC=C1C#N
CCCC(=O)NC(=S)Nc1ccccc1C#N
InChI=1SC12H13N3OSc12511(16)1512(17)141074369(10)813h3467H25H21H3(H214151617)
MFCD03588482
N(((2CYANOPHENYL)AMINO)THIOXOMETHYL)BUTANAMIDE
N((2CYANOPHENYL)CARBAMOTHIOYL)BUTANAMIDE
NBUTYRYLN(2CYANOPHENYL)THIOUREA
STK057327
ZINC000000358658
ZINC00358658
ZINC358658

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Available files

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