Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide

Catalog ID
STK143591
SMILES COc1cc(Cl)c(cc1NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)OC

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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 C21H24ClN3O4S MW 449.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3O4S/c1-26-18-11-16(19(27-2)10-15(18)22)23-21(30)25-7-5-24(6-8-25)12-14-3-4-17-20(9-14)29-13-28-17/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,23,30)
InChIKey
MQBIDHBHKKKOIO-UHFFFAOYSA-N
Synonyms

(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)((4CHLORO25DIMETHOXYPHENYL)AMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N(4CHLORO25DIMETHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)Cl
InChI=1SC21H24ClN3O4Sc126181116(19(272)1015(18)22)2321(30)257524(6825)1214341720(914)29132817h34911H581213H212H3(H2330)
MFCD03584590
ZINC000013880278
ZINC13880278

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Available files

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