Vitas-M small molecule compound

N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)heptanamide

Catalog ID
STK369296
SMILES CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccccc1O

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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 C16H22Cl3N3O2S MW 426.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22Cl3N3O2S/c1-2-3-4-5-10-13(24)21-14(16(17,18)19)22-15(25)20-11-8-6-7-9-12(11)23/h6-9,14,23H,2-5,10H2,1H3,(H,21,24)(H2,20,22,25)
InChIKey
XBDIDNJWGRJLHG-UHFFFAOYSA-N
Synonyms

CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1O
InChI=1SC16H22Cl3N3O2Sc123451013(24)2114(16(1718)19)2215(25)2011867912(11)23h691423H2510H21H3(H2124)(H2202225)
MFCD00382160
N((1R)222TRICHLORO1(((2HYDROXYPHENYL)CARBAMOTHIOYL)AMINO)ETHYL)HEPTANAMIDE
N(222trichloro1(((2hydroxyphenyl)carbamothioyl)amino)ethyl)heptanamide
N(222TRICHLORO1((2HYDROXYPHENYL)CARBAMOTHIOYLAMINO)ETHYL)HEPTANAMIDE
ZINC000002905399
ZINC000002905400

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Available files

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