Vitas-M small molecule compound

methyl N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}tryptophanate

Catalog ID
STL559721
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC1(CCSCC1)c1oc(C)cc(=O)c1O

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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 C25H28N2O6S MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6S/c1-15-11-20(28)22(30)23(33-15)25(7-9-34-10-8-25)13-21(29)27-19(24(31)32-2)12-16-14-26-18-6-4-3-5-17(16)18/h3-6,11,14,19,26,30H,7-10,12-13H2,1-2H3,(H,27,29)
InChIKey
ZLRSLRVNYQEWEE-UHFFFAOYSA-N
Synonyms

139029946
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CC1(CCSCC1)c1oc(C)cc(=O)c1O
InChI=1SC25H28N2O6Sc1151120(28)22(30)23(3315)25(793410825)1321(29)2719(24(31)322)1216142618643517(16)18h361114192630H7101213H212H3(H2729)
methyl2((2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)acetyl)amino)3(1Hindol3yl)propanoate
methyl2(2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetamido)3(1Hindol3yl)propanoate
methylN((4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetyl)tryptophanate
MFCD32221557
ZINC001776111958
ZINC001776111959

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Available files

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