Vitas-M small molecule compound

6-[({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Catalog ID
STL546558
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCc1cc(=O)n(c(=O)n1C)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 C25H25N3O8 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O8/c1-10-20(32)18(12(3)29)22-19(21(10)33)25(4)15(36-22)8-14(30)17(23(25)34)11(2)26-9-13-7-16(31)28(6)24(35)27(13)5/h7-8,26,32-33H,9H2,1-6H3/b17-11+/t25-/m0/s1
InChIKey
BTSGTGJSSKMDBQ-JHSVMATKSA-N
Synonyms

(RE)6(((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)methyl)13dimethylpyrimidine24(1H3H)dione
110206725
6((((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)methyl)13dimethylpyrimidine24dione
6((((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)methyl)13dimethylpyrimidine24(1H3H)dione
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCc1cc(=O)n(c(=O)n1C)C
InChI=1SC25H25N3O8c11020(32)18(12(3)29)2219(21(10)33)25(4)15(3622)814(30)17(23(25)34)11(2)26913716(31)28(6)24(35)27(13)5h78263233H9H216H3b1711+t25m0s1
ZINC000253397942
ZINC253397942

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Available files

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