Vitas-M small molecule compound

6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-methioninate

Catalog ID
STL464756
SMILES CCCCc1cc2c(cc1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCSC)occ(c2=O)c1csc(n1)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 C27H34N2O6S2 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6S2/c1-7-8-9-17-12-18-23(33-14-19(24(18)30)21-15-37-16(2)28-21)13-22(17)34-25(31)20(10-11-36-6)29-26(32)35-27(3,4)5/h12-15,20H,7-11H2,1-6H3,(H,29,32)/t20-/m0/s1
InChIKey
QAFPPLNUYVQYIW-FQEVSTJZSA-N
Synonyms
356522-44-6
(6BUTYL3(2METHYL13THIAZOL4YL)4OXOCHROMEN7YL)(2S)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)4METHYLSULFANYLBUTANOATE
(S)6butyl3(2methylthiazol4yl)4oxo4Hchromen7yl2((tertbutoxycarbonyl)amino)4(methylthio)butanoate
356522446
6butyl3(2methyl13thiazol4yl)4oxo4Hchromen7ylN(tertbutoxycarbonyl)Lmethioninate
CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(CCSC)NC(=O)OC(C)(C)C
CCCCc1cc2c(cc1OC(=O)(C@@H)(NC(=O)OC(C)(C)C)CCSC)occ(c2=O)c1csc(n1)C
InChI=1SC27H34N2O6S2c178917121823(331419(24(18)30)21153716(2)2821)1322(17)3425(31)20(1011366)2926(32)3527(34)5h121520H711H216H3(H2932)t20m0s1
MFCD06439041
ZINC000004510843
ZINC4510843

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Available files

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