Vitas-M small molecule compound

N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)heptanamide

Catalog ID
STK809330
SMILES CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)Cl

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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 C16H21Cl4N3OS MW 445.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21Cl4N3OS/c1-2-3-4-5-6-13(24)22-14(16(18,19)20)23-15(25)21-12-9-7-11(17)8-10-12/h7-10,14H,2-6H2,1H3,(H,22,24)(H2,21,23,25)
InChIKey
WHUBWYDDQGMSGL-UHFFFAOYSA-N
Synonyms

CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)Cl
InChI=1SC16H21Cl4N3OSc12345613(24)2214(16(1819)20)2315(25)21129711(17)81012h71014H26H21H3(H2224)(H2212325)
MFCD00266874
N(222trichloro1(((4chlorophenyl)carbamothioyl)amino)ethyl)heptanamide
N(222TRICHLORO1((4CHLOROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)HEPTANAMIDE
ZINC000002678313
ZINC000002678314

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Available files

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