Vitas-M small molecule compound

3-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

Catalog ID
STK810984
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)/C1=O

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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 C22H24N4O5S2 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S2/c1-12-5-4-7-25-18(12)23-19(24-10-13(2)31-14(3)11-24)15(20(25)29)9-16-21(30)26(22(32)33-16)8-6-17(27)28/h4-5,7,9,13-14H,6,8,10-11H2,1-3H3,(H,27,28)/b16-9-
InChIKey
LTYNPCKLJDQZGU-SXGWCWSVSA-N
Synonyms

3((5Z)5((2(26dimethylmorpholin4yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(26DIMETHYLMORPHOLIN4YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CCC(=O)O
InChI=1SC22H24N4O5S2c1125472518(12)2319(241013(2)3114(3)1124)15(20(25)29)91621(30)26(22(32)3316)8617(27)28h45791314H681011H213H3(H2728)b169
MFCD03444842
OC(=O)CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)C1=O
ZINC000002507298
ZINC000013427236

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.