Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL166917
SMILES O=c1c2sccc2nc(n1Cc1ccc2c(c1)OCO2)SCc1ccccc1
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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 C21H16N2O3S2 MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O3S2/c24-20-19-16(8-9-27-19)22-21(28-12-14-4-2-1-3-5-14)23(20)11-15-6-7-17-18(10-15)26-13-25-17/h1-10H,11-13H2InChIKey
AOVKNSRJVUKSIX-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2(benzylsulfanyl)thieno(32d)pyrimidin4(3H)one
3(13BENZODIOXOL5YLMETHYL)2BENZYLSULFANYLTHIENO(32D)PYRIMIDIN4ONE
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CC=CC=C5
InChI=1SC21H16N2O3S2c24201916(892719)2221(2812144213514)23(20)1115671718(1015)26132517h110H1113H2
MFCD05030226
ZINC000002925162
ZINC2925162
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