Vitas-M small molecule compound
N-[2-(6-{(Z)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide
Catalog ID
STL513768
SMILES COc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)Br)O)c(CCN(C(=O)C)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 C24H22BrN3O7 MW 544.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-InChIKey
CHEQEKDFHVIFOO-WQRHYEAKSA-NSynonyms
~(N)(2(6((~(Z))(1(4bromophenyl)246trioxo13diazinan5ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)~(N)methylacetamide
1759606
InChI=1SC24H22BrN3O7c113(29)27(2)9814101921(35123419)20(333)17(14)111822(30)2624(32)28(23(18)31)166415(25)5716h471011H8912H213H3(H263032)b1811
MFCD03266791
N(2(6((Z)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)NMETHYLACETAMIDE
N(2(6((Z)(1(4bromophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylacetamide
ZINC000070686841
ZINC70686841
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