Vitas-M small molecule compound
6-amino-1-methyl-2-(methylsulfanyl)-5-[4-(propan-2-yloxy)benzyl]pyrimidin-1-ium
Catalog ID
STL332515
SMILES CSc1ncc(c([n+]1C)N)Cc1ccc(cc1)OC(C)C
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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 C16H22N3OS MW 304.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-11(2)20-14-7-5-12(6-8-14)9-13-10-18-16(21-4)19(3)15(13)17/h5-8,10-11,17H,9H2,1-4H3/p+1InChIKey
RVEHQFIDQWPMOR-UHFFFAOYSA-OSynonyms
3METHYL2METHYLSULFANYL5((4PROPAN2YLOXYPHENYL)METHYL)PYRIMIDIN3IUM4AMINE
6amino1methyl2(methylsulfanyl)5(4(propan2yloxy)benzyl)pyrimidin1ium
6amino5(4isopropoxybenzyl)1methyl2(methylthio)pyrimidin1iumiodide
CC(C)OC1=CC=C(C=C1)CC2=CN=C((N+)(=C2N)C)SC
CSc1ncc(c((n+)1C)N)Cc1ccc(cc1)OC(C)C
CSc1ncc(c((n+)1C)N)Cc1ccc(cc1)OC(C)C(I)
InChI=1SC16H21N3OSc111(2)20147512(6814)913101816(214)19(3)15(13)17h58101117H9H214H3p+1
MFCD03006881
ZINC000334156965
ZINC00535189
ZINC535189
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