Vitas-M small molecule compound
N-(2-{6-[(1E)-3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylacetamide
Catalog ID
STL514902
SMILES COc1c(/C=C/C(=O)c2c(O)n(C)c(=O)n(c2=O)C)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 C22H25N3O8 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O8/c1-12(26)23(2)9-8-13-10-16-19(33-11-32-16)18(31-5)14(13)6-7-15(27)17-20(28)24(3)22(30)25(4)21(17)29/h6-7,10,28H,8-9,11H2,1-5H3/b7-6+InChIKey
CSTHFKXEPRMPQL-VOTSOKGWSA-NSynonyms
1173306-42-7(E)N(2(6(3(6hydroxy13dimethyl24dioxo1234tetrahydropyrimidin5yl)3oxoprop1en1yl)7methoxybenzo(d)(13)dioxol5yl)ethyl)Nmethylacetamide
~(N)(2(6((~(E))3(4hydroxy13dimethyl26dioxopyrimidin5yl)3oxoprop1enyl)7methoxy13benzodioxol5yl)ethyl)~(N)methylacetamide
1173306427
6216667
COc1c(C=CC(=O)c2c(O)n(C)c(=O)n(c2=O)C)c(CCN(C(=O)C)C)cc2c1OCO2
InChI=1SC22H25N3O8c112(26)23(2)9813101619(33113216)18(315)14(13)6715(27)1720(28)24(3)22(30)25(4)21(17)29h671028H8911H215H3b76+
MFCD06493791
N(2(6((1E)3(6hydroxy13dimethyl24dioxo1234tetrahydropyrimidin5yl)3oxoprop1en1yl)7methoxy13benzodioxol5yl)ethyl)Nmethylacetamide
N(2(6((E)3(4HYDROXY13DIMETHYL26DIOXOPYRIMIDIN5YL)3OXOPROP1ENYL)7METHOXY13BENZODIOXOL5YL)ETHYL)NMETHYLACETAMIDE
ZINC000012877384
ZINC12877384
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