Vitas-M small molecule compound

1-(1,2,3-benzothiadiazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

Catalog ID
STK249932
SMILES O=C(NC(CC(C)(C)C)(C)C)Nc1ccc2c(c1)nns2

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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 C15H22N4OS MW 306.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N4OS/c1-14(2,3)9-15(4,5)17-13(20)16-10-6-7-12-11(8-10)18-19-21-12/h6-8H,9H2,1-5H3,(H2,16,17,20)
InChIKey
LWLRWKYPZXQQHM-UHFFFAOYSA-N
Synonyms

1(123benzothiadiazol5yl)3(244trimethylpentan2yl)urea
CC(C)(C)CC(C)(C)NC(=O)NC1=CC2=C(C=C1)SN=N2
InChI=1SC15H22N4OSc114(23)915(45)1713(20)1610671211(810)18192112h68H9H215H3(H2161720)
MFCD08676579
ZINC000009668629
ZINC09668629
ZINC9668629

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Available files

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