Vitas-M small molecule compound

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

Catalog ID
STK446914
SMILES S=C(N1CCN(CC1)S(=O)(=O)C)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 C14H19N3O4S2 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3O4S2/c1-23(18,19)17-6-4-16(5-7-17)14(22)15-11-2-3-12-13(10-11)21-9-8-20-12/h2-3,10H,4-9H2,1H3,(H,15,22)
InChIKey
IUTWKRZRUDBWAH-UHFFFAOYSA-N
Synonyms

4((2H3HBENZO(34E)14DIOXIN6YLAMINO)THIOXOMETHYL)1(METHYLSULFONYL)PIPERAZINE
CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)OCCO3
InChI=1SC14H19N3O4S2c123(1819)176416(5717)14(22)1511231213(1011)21982012h2310H49H21H3(H1522)
MFCD04059300
N(23dihydro14benzodioxin6yl)4(methylsulfonyl)piperazine1carbothioamide
N(23dihydro14benzodioxin6yl)4methylsulfonylpiperazine1carbothioamide
ZINC000006398820
ZINC06398820
ZINC6398820

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Available files

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