Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylphenyl)urea

Catalog ID
STK415128
SMILES O=C(Nc1cccc(c1)C)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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c1-11-3-2-4-13(7-11)18-16(19)17-9-12-5-6-14-15(8-12)21-10-20-14/h2-8H,9-10H2,1H3,(H2,17,18,19)
InChIKey
RPVUCWGWPCOQCX-UHFFFAOYSA-N
Synonyms
891424-94-5
((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)N(3METHYLPHENYL)CARBOXAMIDE
1(13benzodioxol5ylmethyl)3(3methylphenyl)urea
1(MTOLYL)3PIPERONYLUREA
891424945
CC1=CC(=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3
InChI=1SC16H16N2O3c11132413(711)1816(19)17912561415(812)21102014h28H910H21H3(H2171819)
MFCD06081562
ZINC000009875846
ZINC09875846
ZINC9875846

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Available files

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