Vitas-M small molecule compound

2-butanoyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hydrazinecarbothioamide

Catalog ID
STK447204
SMILES CCCC(=O)NNC(=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 C13H17N3O3S MW 295.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3S/c1-2-3-12(17)15-16-13(20)14-9-4-5-10-11(8-9)19-7-6-18-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)(H2,14,16,20)
InChIKey
HWAMRPHTQIRQBG-UHFFFAOYSA-N
Synonyms

1(butanoylamino)3(23dihydro14benzodioxin6yl)thiourea
2butanoylN(23dihydro14benzodioxin6yl)hydrazinecarbothioamide
CCCC(=O)NNC(=S)NC1=CC2=C(C=C1)OCCO2
InChI=1SC13H17N3O3Sc12312(17)151613(20)149451011(89)19761810h458H2367H21H3(H1517)(H2141620)
MFCD04059486
N(((2H3HBENZO(34E)14DIOXAN6YLAMINO)THIOXOMETHYL)AMINO)BUTANAMIDE
ZINC000006389117
ZINC06389117
ZINC6389117

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Available files

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