Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
Catalog ID
STK143405
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Nc1cccc(c1C)Cl
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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 C20H22ClN3O2S MW 403.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O2S/c1-14-16(21)3-2-4-17(14)22-20(27)24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)26-13-25-18/h2-6,11H,7-10,12-13H2,1H3,(H,22,27)InChIKey
VLPQKDAICURDNF-UHFFFAOYSA-NSynonyms
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((3CHLORO2METHYLPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(3CHLORO2METHYLPHENYL)1PIPERAZINECARBOTHIOAMIDE
4(13BENZODIOXOL5YLMETHYL)N(3CHLORO2METHYLPHENYL)PIPERAZINE1CARBOTHIOAMIDE
CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22ClN3O2Sc11416(21)32417(14)2220(27)249723(81024)1215561819(1115)26132518h2611H7101213H21H3(H2227)
MFCD03170579
ZINC000018250929
ZINC18250929
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