Vitas-M small molecule compound

2-methyl-N-(2,2,2-trichloro-1-{[(2-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

Catalog ID
STK808450
SMILES COc1ccccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1C

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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 C18H18Cl3N3O2S MW 446.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18Cl3N3O2S/c1-11-7-3-4-8-12(11)15(25)23-16(18(19,20)21)24-17(27)22-13-9-5-6-10-14(13)26-2/h3-10,16H,1-2H3,(H,23,25)(H2,22,24,27)
InChIKey
PCFAVTJTLIYZHT-UHFFFAOYSA-N
Synonyms

2methylN(222trichloro1(((2methoxyphenyl)carbamothioyl)amino)ethyl)benzamide
2METHYLN(222TRICHLORO1((2METHOXYPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2OC
InChI=1SC18H18Cl3N3O2Sc111734812(11)15(25)2316(18(1920)21)2417(27)22139561014(13)262h31016H12H3(H2325)(H2222427)
MFCD00226184
ZINC000001446573
ZINC000001446574

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Available files

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