Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-2-[(3-phenylpropyl)sulfanyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide

Catalog ID
STK604343
SMILES O=S1(=O)CC2C(C1)N(C(=N2)SCCCc1ccccc1)c1ccc2c(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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c24-29(25)12-17-18(13-29)23(16-8-9-19-20(11-16)27-14-26-19)21(22-17)28-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17-18H,4,7,10,12-14H2
InChIKey
RBEAJMBBXVYMNM-UHFFFAOYSA-N
Synonyms
921119-85-9
1(13benzodioxol5yl)2((3phenylpropyl)sulfanyl)3a466atetrahydro1Hthieno(34d)imidazole55dioxide
1(benzo(d)(13)dioxol5yl)2((3phenylpropyl)thio)3a466atetrahydro1Hthieno(34d)imidazole55dioxide
3(13benzodioxol5yl)2(3phenylpropylsulfanyl)3a466atetrahydrothieno(34d)imidazole55dioxide
921119859
C1C2C(CS1(=O)=O)N(C(=N2)SCCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H22N2O4S2c2429(25)121718(1329)23(16891920(1116)27142619)21(2217)281047155213615h135689111718H47101214H2
MFCD08746105
ZINC000009302944
ZINC000009302952

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Available files

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