Vitas-M small molecule compound
2-(2-bromo-2-cyanoethyl)-N-[(4-methylphenyl)carbamothioyl]benzamide
Catalog ID
STK953325
SMILES N#CC(Cc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)C)Br
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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 C18H16BrN3OS MW 402.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3OS/c1-12-6-8-15(9-7-12)21-18(24)22-17(23)16-5-3-2-4-13(16)10-14(19)11-20/h2-9,14H,10H2,1H3,(H2,21,22,23,24)InChIKey
SNWLXLUOHJLXBA-UHFFFAOYSA-NSynonyms
(2(2BROMO2CYANOETHYL)PHENYL)N(((4METHYLPHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
2(2bromo2cyanoethyl)N((4methylphenyl)carbamothioyl)benzamide
CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2CC(C#N)Br
InChI=1SC18H16BrN3OSc1126815(9712)2118(24)2217(23)16532413(16)1014(19)1120h2914H10H21H3(H221222324)
MFCD09759878
ZINC000011692723
ZINC000011692724
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