Vitas-M small molecule compound

N-{[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl}-3-chloro-4-methoxybenzamide

Catalog ID
STK254854
SMILES COc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1

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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 C26H27ClN4O2S MW 495.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O2S/c1-33-24-12-7-20(17-23(24)27)25(32)29-26(34)28-21-8-10-22(11-9-21)31-15-13-30(14-16-31)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)
InChIKey
MTIDZJASUDQVFA-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)Cl
InChI=1SC26H27ClN4O2Sc1332412720(1723(24)27)25(32)2926(34)282181022(11921)31151330(141631)18195324619h21217H131618H21H3(H228293234)
MFCD03922664
N((4(4benzylpiperazin1yl)phenyl)carbamothioyl)3chloro4methoxybenzamide
ZINC000057254357
ZINC57254357

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Available files

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