Vitas-M small molecule compound
4-(5-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide
Catalog ID
STK446915
SMILES Clc1ccc(c(c1)N1CCN(CC1)C(=S)Nc1ccc2c(c1)OCCO2)C
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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/c1-14-2-3-15(21)12-17(14)23-6-8-24(9-7-23)20(27)22-16-4-5-18-19(13-16)26-11-10-25-18/h2-5,12-13H,6-11H2,1H3,(H,22,27)InChIKey
VVMVEBLQWXKDSU-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)(4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHANE1THIONE
4(5chloro2methylphenyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC20H22ClN3O2Sc1142315(21)1217(14)236824(9723)20(27)2216451819(1316)2611102518h251213H611H21H3(H2227)
MFCD04059258
ZINC000006401133
ZINC06401133
ZINC6401133
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