Vitas-M small molecule compound
(5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL527766
SMILES C=CCN1C(=S)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
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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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-4-6-25-20(27)13(19(26)23-21(25)31)9-22-10-14-16-12(5-7-24(14)2)8-15-17(18(16)28-3)30-11-29-15/h4,8-9,14,22H,1,5-7,10-11H2,2-3H3,(H,23,26,31)/b13-9-InChIKey
OVRNIVRDIZVVTQ-LCYFTJDESA-NSynonyms
(5Z)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)1(prop2en1yl)2thioxodihydropyrimidine46(1H5H)dione
(Z)1allyl5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)2thioxodihydropyrimidine46(1H5H)dione
C=CCN1C(=S)NC(=O)C(=CNCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)C1=O
InChI=1SC21H24N4O5Sc1462520(27)13(19(26)2321(25)31)92210141612(5724(14)2)81517(18(16)283)30112915h4891422H1571011H223H3(H232631)b139
MFCD03661923
ZINC000020410716
ZINC000100750920
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