Vitas-M small molecule compound

5,5'-({6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}methanediyl)bis[6-hydroxy-1-(propan-2-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one]

Catalog ID
STL351359
SMILES COc1c(c(CCN(C)C)cc2c1OCO2)C(c1c(=O)[nH]c(=S)n(c1O)C(C)C)c1c(=O)[nH]c(=S)n(c1O)C(C)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 C27H35N5O7S2 MW 605.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O7S2/c1-12(2)31-24(35)18(22(33)28-26(31)40)17(19-23(34)29-27(41)32(13(3)4)25(19)36)16-14(8-9-30(5)6)10-15-20(21(16)37-7)39-11-38-15/h10,12-13,17,35-36H,8-9,11H2,1-7H3,(H,28,33,40)(H,29,34,41)
InChIKey
DZBUCLXCFJCZKW-UHFFFAOYSA-N
Synonyms
1190283-37-4
1190283374
5((6(2(dimethylamino)ethyl)4methoxy13benzodioxol5yl)(6hydroxy4oxo1propan2yl2sulfanylidenepyrimidin5yl)methyl)6hydroxy1propan2yl2sulfanylidenepyrimidin4one
55((6(2(dimethylamino)ethyl)4methoxy13benzodioxol5yl)methanediyl)bis(6hydroxy1(propan2yl)2thioxo23dihydropyrimidin4(1H)one)
55((6(2(dimethylamino)ethyl)4methoxybenzo(d)(13)dioxol5yl)methylene)bis(6hydroxy1isopropyl2thioxo23dihydropyrimidin4(1H)one)
CC(C)N1C(=C(C(=O)NC1=S)C(C2=C(C3=C(C=C2CCN(C)C)OCO3)OC)C4=C(N(C(=S)NC4=O)C(C)C)O)O
COc1c(c(CCN(C)C)cc2c1OCO2)C(c1c(=O)(nH)c(=S)n(c1O)C(C)C)c1c(=O)(nH)c(=S)n(c1O)C(C)C
InChI=1SC27H35N5O7S2c112(2)3124(35)18(22(33)2826(31)40)17(1923(34)2927(41)32(13(3)4)25(19)36)1614(8930(5)6)101520(21(16)377)39113815h101213173536H8911H217H3(H283340)(H293441)
MFCD12203743
ZINC000101547713
ZINC101547713

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Available files

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