Vitas-M small molecule compound

10-({4-methyl-1-[(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acridin-9(10H)-one (non-preferred name)

Catalog ID
STK685767
SMILES O=C1C[C@H]([C@H]2O[C@@H]1OC2)n1nc(n(c1=S)C)Cn1c2ccccc2c(=O)c2c1cccc2

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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-25-20(24-27(23(25)32)17-10-18(28)22-30-12-19(17)31-22)11-26-15-8-4-2-6-13(15)21(29)14-7-3-5-9-16(14)26/h2-9,17,19,22H,10-12H2,1H3/t17-,19+,22+/m1/s1
InChIKey
JSQHDPQAJLFPSS-LZNRXBQRSA-N
Synonyms

(1S4R5R)4(4METHYL3((9OXO(10HYDROACRIDIN10YL))METHYL)5THIOXO(124TRIAZOLINYL))78DIOXABICYCLO(321)OCTAN2ONE
10((4methyl1((1R2R5S)4oxo68dioxabicyclo(321)oct2yl)5thioxo45dihydro1H124triazol3yl)methyl)acridin9(10H)one(nonpreferredname)
10((4methyl1((1R2R5S)4oxo68dioxabicyclo(321)octan2yl)5sulfanylidene124triazol3yl)methyl)acridin9one
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)CN4C5=CC=CC=C5C(=O)C6=CC=CC=C64
InChI=1SC23H20N4O4Sc12520(2427(23(25)32)171018(28)22301219(17)3122)112615842613(15)21(29)14735916(14)26h29171922H1012H21H3t1719+22+m1s1
MFCD18246930
O=C1C(C@H)((C@H)2O(C@@H)1OC2)n1nc(n(c1=S)C)Cn1c2ccccc2c(=O)c2c1cccc2
ZINC000012427797
ZINC12427797

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Available files

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