Vitas-M small molecule compound

5-(ethylsulfanyl)-2-(iodomethyl)-2,3,8,9,10,11-hexahydro[1]benzothieno[3,2-e][1,3]oxazolo[3,2-c]pyrimidin-4-ium

Catalog ID
STL324106
SMILES CCSc1nc2sc3c(c2c2[n+]1CC(O2)CI)CCCC3

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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 C15H18IN2OS2 MW 433.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18IN2OS2/c1-2-20-15-17-13-12(10-5-3-4-6-11(10)21-13)14-18(15)8-9(7-16)19-14/h9H,2-8H2,1H3/q+1
InChIKey
ISPODFPIIFXSQK-UHFFFAOYSA-N
Synonyms

5(ethylsulfanyl)2(iodomethyl)23891011hexahydro(1)benzothieno(32e)(13)oxazolo(32c)pyrimidin4ium
5(ethylthio)2(iodomethyl)23891011hexahydrobenzo(45)thieno(32e)oxazolo(32c)pyrimidin4iumiodide
CCSC1=NC2=C(C3=C(S2)CCCC3)C4=(N+)1CC(O4)CI
CCSc1nc2sc3c(c2c2(n+)1CC(O2)CI)CCCC3
CCSc1nc2sc3c(c2c2(n+)1CC(O2)CI)CCCC3(I)
InChI=1SC15H18IN2OS2c122015171312(10534611(10)2113)1418(15)89(716)1914h9H28H21H3q+1
MFCD01557837

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Available files

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