Vitas-M small molecule compound
1-(bromomethyl)-4-methyl-5-oxo-1,2,4,5,6,7,8,9-octahydro[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-11-ium
Catalog ID
STL012048
SMILES BrCC1CSc2[n+]1c1sc3c(c1c(=O)n2C)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 C14H16BrN2OS2 MW 372.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16BrN2OS2/c1-16-12(18)11-9-4-2-3-5-10(9)20-13(11)17-8(6-15)7-19-14(16)17/h8H,2-7H2,1H3/q+1InChIKey
SCDFZTFNXNXUJH-UHFFFAOYSA-NSynonyms
1(bromomethyl)4methyl5oxo12456789octahydro(1)benzothieno(32e)(13)thiazolo(32a)pyrimidin11ium
BrCC1CSc2(n+)1c1sc3c(c1c(=O)n2C)CCCC3
CN1C(=O)C2=C((N+)3=C1SCC3CBr)SC4=C2CCCC4
InChI=1SC14H16BrN2OS2c11612(18)119423510(9)2013(11)178(615)71914(16)17h8H27H21H3q+1
ZINC000051353971
ZINC000051353972
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