Vitas-M small molecule compound

methyl 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate

Catalog ID
STL318408
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1sc(nc1C)N(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 C16H20N2O5S MW 352.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O5S/c1-8-6-11(19)13(21)14(23-8)10(7-12(20)22-5)15-9(2)17-16(24-15)18(3)4/h6,10,21H,7H2,1-5H3
InChIKey
MRXBAOPIUCTACD-UHFFFAOYSA-N
Synonyms
1574493-34-7
1574493347
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=C(N=C(S2)N(C)C)C)O
InChI=1SC16H20N2O5Sc18611(19)13(21)14(238)10(712(20)225)159(2)1716(2415)18(3)4h61021H7H215H3
methyl3(2(dimethylamino)4methyl13thiazol5yl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
methyl3(2(dimethylamino)4methyl13thiazol5yl)3(3hydroxy6methyl4oxopyran2yl)propanoate
methyl3(2(dimethylamino)4methylthiazol5yl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoate
MFCD28031275
ZINC000095479279
ZINC000095479280

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Available files

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