Vitas-M small molecule compound

3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea

Catalog ID
STL008708
SMILES O=Cc1c(CCN(C(=S)NCc2ccccc2)C)cc2c(c1OC)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-22(20(27)21-11-14-6-4-3-5-7-14)9-8-15-10-17-19(26-13-25-17)18(24-2)16(15)12-23/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,27)
InChIKey
LFEHNFNWGHUURY-UHFFFAOYSA-N
Synonyms
858765-29-4
3BENZYL1(2(6FORMYL7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYLTHIOUREA
3benzyl1(2(6formyl7methoxybenzo(d)(13)dioxol5yl)ethyl)1methylthiourea
858765294
CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC=CC=C3
InChI=1SC20H22N2O4Sc122(20(27)2111146435714)9815101719(26132517)18(242)16(15)1223h371012H891113H212H3(H2127)
MFCD04143933
ZINC000002100394
ZINC02100394
ZINC2100394

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Available files

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