Vitas-M small molecule compound

N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-chloro-4-methylbenzamide

Catalog ID
STK155846
SMILES S=C(Nc1c(C)cc(cc1C)Br)NC(=O)c1ccc(c(c1)Cl)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 C17H16BrClN2OS MW 411.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN2OS/c1-9-4-5-12(8-14(9)19)16(22)21-17(23)20-15-10(2)6-13(18)7-11(15)3/h4-8H,1-3H3,(H2,20,21,22,23)
InChIKey
JOSFESZNBUHZJX-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C)Br)C)Cl
InChI=1SC17H16BrClN2OSc194512(814(9)19)16(22)2117(23)201510(2)613(18)711(15)3h48H13H3(H220212223)
MFCD03271104
N((4BROMO26DIMETHYLPHENYL)CARBAMOTHIOYL)3CHLORO4METHYLBENZAMIDE
N(4BROMO26DIMETHYLPHENYL)N(3CHLORO4METHYLBENZOYL)THIOUREA
ZINC000000679020
ZINC00679020
ZINC679020

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Available files

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