Vitas-M small molecule compound

N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-5-bromo-2-methoxy-3-methylbenzamide

Catalog ID
STK355631
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)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 C22H25BrN4O3S MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN4O3S/c1-14-12-16(23)13-19(20(14)30-3)21(29)25-22(31)24-17-4-6-18(7-5-17)27-10-8-26(9-11-27)15(2)28/h4-7,12-13H,8-11H2,1-3H3,(H2,24,25,29,31)
InChIKey
NXZIODCQDCFRER-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC
InChI=1SC22H25BrN4O3Sc1141216(23)1319(20(14)303)21(29)2522(31)24174618(7517)2710826(91127)15(2)28h471213H811H213H3(H224252931)
MFCD08126248
N((4(4acetylpiperazin1yl)phenyl)carbamothioyl)5bromo2methoxy3methylbenzamide
ZINC000008897391
ZINC08897391
ZINC8897391

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Available files

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