Vitas-M small molecule compound
3-cyclopropyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylpyrimidin-4(3H)-one
Catalog ID
STL530720
SMILES COc1c2c(CCN(C2c2c(O)nc(n(c2=O)C2CC2)S)C)cc2c1OCO2
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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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c1-21-6-5-9-7-11-15(27-8-26-11)16(25-2)12(9)14(21)13-17(23)20-19(28)22(18(13)24)10-3-4-10/h7,10,14,23H,3-6,8H2,1-2H3,(H,20,28)InChIKey
NSKCYNSTAYDPOK-UHFFFAOYSA-NSynonyms
3cyclopropyl6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)2sulfanylpyrimidin4(3H)one
InChI=1SC19H21N3O5Sc12165971115(2782611)16(252)12(9)14(21)1317(23)2019(28)22(18(13)24)103410h7101423H368H212H3(H2028)
MFCD07208811
ZINC000018210644
ZINC000020410740
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