Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-3-methylthiourea

Catalog ID
STK144442
SMILES CNC(=S)NCc1ccc2c(c1)OCO2

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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 C10H12N2O2S MW 224.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12N2O2S/c1-11-10(15)12-5-7-2-3-8-9(4-7)14-6-13-8/h2-4H,5-6H2,1H3,(H2,11,12,15)
InChIKey
GNEAONQCZYCERC-UHFFFAOYSA-N
Synonyms

((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)(METHYLAMINO)METHANE1THIONE
1(13BENZODIOXOL5YLMETHYL)3METHYLTHIOUREA
1(2H13BENZODIOXOL5YLMETHYL)3METHYLTHIOUREA
CNC(=S)NCC1=CC2=C(C=C1)OCO2
InChI=1SC10H12N2O2Sc11110(15)12572389(47)146138h24H56H21H3(H2111215)
MFCD04068546
ZINC000001155164
ZINC01155164
ZINC1155164

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Available files

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