Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)-3-phenylpropan-1-amine

Catalog ID
STK056547
SMILES COc1ccc(cc1OC)CNCCC(c1ccc2c(c1)OCO2)c1ccccc1

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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 C25H27NO4 MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4/c1-27-22-10-8-18(14-24(22)28-2)16-26-13-12-21(19-6-4-3-5-7-19)20-9-11-23-25(15-20)30-17-29-23/h3-11,14-15,21,26H,12-13,16-17H2,1-2H3
InChIKey
LWMKARRJLDJYPV-UHFFFAOYSA-N
Synonyms

(3(2HBENZO(34D)13DIOXOLAN5YL)3PHENYLPROPYL)((34DIMETHOXYPHENYL)METHYL)AMINE
(3S)3(13BENZODIOXOL5YL)N(34DIMETHOXYBENZYL)3PHENYLPROPAN1AMINE
3(13BENZODIOXOL5YL)N((34DIMETHOXYPHENYL)METHYL)3PHENYLPROPAN1AMINE
3(13BENZODIOXOL5YL)N(34DIMETHOXYBENZYL)3PHENYLPROPAN1AMINE
3(benzo(d)(13)dioxol5yl)N(34dimethoxybenzyl)3phenylpropan1aminehydrochloride
COC1=C(C=C(C=C1)CNCCC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)OC
COc1ccc(cc1OC)CNCCC(c1ccc2c(c1)OCO2)c1ccccc1
COc1ccc(cc1OC)CNCCC(c1ccc2c(c1)OCO2)c1ccccc1Cl
InChI=1SC25H27NO4c1272210818(1424(22)282)1626131221(196435719)209112325(1520)30172923h31114152126H12131617H212H3
MFCD02057615
STK056547
ZINC000001828792
ZINC000001828793

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Available files

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