Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK439665
SMILES Sc1nc2sc3c(c2c(=O)n1c1ccc2c(c1)OCO2)CCCCCC3

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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 C19H18N2O3S2 MW 386.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S2/c22-18-16-12-5-3-1-2-4-6-15(12)26-17(16)20-19(25)21(18)11-7-8-13-14(9-11)24-10-23-13/h7-9H,1-6,10H2,(H,20,25)
InChIKey
DTBHVUBEGGFLNJ-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)2sulfanyl5678910hexahydrocycloocta(45)thieno(23d)pyrimidin4(3H)one
3(13benzodioxol5yl)2sulfanylidene5678910hexahydro1Hcycloocta(23)thieno(24b)pyrimidin4one
C1CCCC2=C(CC1)C3=C(S2)NC(=S)N(C3=O)C4=CC5=C(C=C4)OCO5
InChI=1SC19H18N2O3S2c2218161253124615(12)2617(16)2019(25)21(18)11781314(911)24102313h79H1610H2(H2025)
MFCD03945918
ZINC000017078924
ZINC17078924

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Available files

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