Vitas-M small molecule compound
5-(benzylsulfanyl)-2-(bromomethyl)-2,3,8,9,10,11-hexahydro[1]benzothieno[3,2-e][1,3]oxazolo[3,2-c]pyrimidin-4-ium
Catalog ID
STL324595
SMILES BrCC1C[n+]2c(O1)c1c(nc2SCc2ccccc2)sc2c1CCCC2
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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 C20H20BrN2OS2 MW 448.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN2OS2/c21-10-14-11-23-19(24-14)17-15-8-4-5-9-16(15)26-18(17)22-20(23)25-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2/q+1InChIKey
PNHMURDKOHJIEJ-UHFFFAOYSA-NSynonyms
5(benzylsulfanyl)2(bromomethyl)23891011hexahydro(1)benzothieno(32e)(13)oxazolo(32c)pyrimidin4ium
BrCC1C(n+)2c(O1)c1c(nc2SCc2ccccc2)sc2c1CCCC2
C1CCC2=C(C1)C3=C(S2)N=C((N+)4=C3OC(C4)CBr)SCC5=CC=CC=C5
InChI=1SC20H20BrN2OS2c211014112319(2414)1715845916(15)2618(17)2220(23)2512136213713h136714H45812H2q+1
MFCD01191366
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