Vitas-M small molecule compound
4-(2-{[4,6-dihydroxy-5-(propan-2-yl)pyrimidin-2-yl]sulfanyl}ethyl)morpholin-4-ium
Catalog ID
STL149727
SMILES CC(c1c(O)nc(nc1O)SCC[NH+]1CCOCC1)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 C13H22N3O3S MW 300.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21N3O3S/c1-9(2)10-11(17)14-13(15-12(10)18)20-8-5-16-3-6-19-7-4-16/h9H,3-8H2,1-2H3,(H2,14,15,17,18)/p+1InChIKey
MZTYKHIUPIZGGO-UHFFFAOYSA-OSynonyms
4(2((46dihydroxy5(propan2yl)pyrimidin2yl)sulfanyl)ethyl)morpholin4ium
4HYDROXY2(2MORPHOLIN4IUM4YLETHYLSULFANYL)5PROPAN2YL1HPYRIMIDIN6ONE
CC(C)C1=C(N=C(NC1=O)SCC(NH+)2CCOCC2)O
CC(c1c(O)nc(nc1O)SCC(NH+)1CCOCC1)C
InChI=1SC13H21N3O3Sc19(2)1011(17)1413(1512(10)18)20851636197416h9H38H212H3(H214151718)p+1
ZINC000008772988
ZINC08772988
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