Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-2-methylphenyl)piperazine-1-carbothioamide
Catalog ID
STK143406
SMILES Clc1ccc(c(c1)C)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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/c1-14-10-16(21)3-4-17(14)22-20(27)24-8-6-23(7-9-24)12-15-2-5-18-19(11-15)26-13-25-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,27)InChIKey
FHLBPOUDEKSMHZ-UHFFFAOYSA-NSynonyms
(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((4CHLORO2METHYLPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(4CHLORO2METHYLPHENYL)1PIPERAZINECARBOTHIOAMIDE
4(13BENZODIOXOL5YLMETHYL)N(4CHLORO2METHYLPHENYL)PIPERAZINE1CARBOTHIOAMIDE
CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22ClN3O2Sc1141016(21)3417(14)2220(27)248623(7924)1215251819(1115)26132518h251011H691213H21H3(H2227)
MFCD03170580
ZINC000018250931
ZINC18250931
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