Vitas-M small molecule compound

4-(2,4-dichlorobenzyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperazine-1-carbothioamide

Catalog ID
STK443070
SMILES Clc1ccc(c(c1)Cl)CN1CCN(CC1)C(=S)Nc1ccc2c(c1)oc(=O)cc2C

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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 C22H21Cl2N3O2S MW 462.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O2S/c1-14-10-21(28)29-20-12-17(4-5-18(14)20)25-22(30)27-8-6-26(7-9-27)13-15-2-3-16(23)11-19(15)24/h2-5,10-12H,6-9,13H2,1H3,(H,25,30)
InChIKey
MJEMBGPVHDDITD-UHFFFAOYSA-N
Synonyms

4((24dichlorophenyl)methyl)N(4methyl2oxochromen7yl)piperazine1carbothioamide
4(24dichlorobenzyl)N(4methyl2oxo2Hchromen7yl)piperazine1carbothioamide
7(((4((24DICHLOROPHENYL)METHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)4METHYLCHROMEN2ONE
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC22H21Cl2N3O2Sc1141021(28)29201217(4518(14)20)2522(30)278626(7927)13152316(23)1119(15)24h251012H6913H21H3(H2530)
MFCD04054591
ZINC000050106691
ZINC50106691

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Available files

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