Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide

Catalog ID
STK446865
SMILES Cc1ccc(cc1)N1CCN(CC1C)C(=S)Nc1ccc2c(c1)OCCO2

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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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-15-3-6-18(7-4-15)24-10-9-23(14-16(24)2)21(27)22-17-5-8-19-20(13-17)26-12-11-25-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,27)
InChIKey
MSVVCROFCFLRCH-UHFFFAOYSA-N
Synonyms

(2H3HBENZO(34E)14DIOXIN6YLAMINO)(3METHYL4(4METHYLPHENYL)PIPERAZINYL)METHANE1THIONE
CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC21H25N3O2Sc1153618(7415)2410923(1416(24)2)21(27)2217581920(1317)2612112519h381316H91214H212H3(H2227)
MFCD04059194
N(23dihydro14benzodioxin6yl)3methyl4(4methylphenyl)piperazine1carbothioamide
ZINC000006400862
ZINC000006400878

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.