Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)thiourea

Catalog ID
STK047038
SMILES S=C(NCc1ccc2c(c1)OCO2)NCCc1ccccc1

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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 C17H18N2O2S MW 314.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O2S/c22-17(18-9-8-13-4-2-1-3-5-13)19-11-14-6-7-15-16(10-14)21-12-20-15/h1-7,10H,8-9,11-12H2,(H2,18,19,22)
InChIKey
PPNNAHPMUSVTDJ-UHFFFAOYSA-N
Synonyms
433317-26-1
((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)((2PHENYLETHYL)AMINO)METHANE1THIONE
1(13BENZODIOXOL5YLMETHYL)3(2PHENYLETHYL)THIOUREA
1(13BENZODIOXOL5YLMETHYL)3PHENETHYLTHIOUREA
433317261
C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC=CC=C3
InChI=1SC17H18N2O2Sc2217(1898134213513)191114671516(1014)21122015h1710H891112H2(H2181922)
MFCD02754252
S=C(NCc1ccc2c(c1)OCO2)NCCc1ccccc1
STK047038
ZINC000000306898
ZINC00306898
ZINC306898

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Available files

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