Vitas-M small molecule compound

3-methyl-N-(4-{[2-(propanoylcarbamothioyl)hydrazinyl]carbonyl}phenyl)butanamide

Catalog ID
STK044172
SMILES CCC(=O)NC(=S)NNC(=O)c1ccc(cc1)NC(=O)CC(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 C16H22N4O3S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O3S/c1-4-13(21)18-16(24)20-19-15(23)11-5-7-12(8-6-11)17-14(22)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,23)(H2,18,20,21,24)
InChIKey
QOBIBLKKBDXDHJ-UHFFFAOYSA-N
Synonyms

3METHYLN(4((2(PROPANOYLCARBAMOTHIOYL)HYDRAZINYL)CARBONYL)PHENYL)BUTANAMIDE
3METHYLN(4((PROPANOYLCARBAMOTHIOYLAMINO)CARBAMOYL)PHENYL)BUTANAMIDE
CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C
CCC(=O)NC(=S)NNC(=O)c1ccc(cc1)NC(=O)CC(C)C
InChI=1SC16H22N4O3Sc1413(21)1816(24)201915(23)115712(8611)1714(22)910(2)3h5810H49H213H3(H1722)(H1923)(H218202124)
MFCD03623860
STK044172
ZINC000006309160
ZINC06309160
ZINC6309160

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Available files

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