Vitas-M small molecule compound

methyl N-(2-{[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl]oxy}propanoyl)-D-tyrosinate

Catalog ID
STL541488
SMILES COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C(Oc1cc2occ(c(=O)c2cc1CC)c1scc(n1)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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-5-18-11-20-24(36-13-21(25(20)32)27-29-15(2)14-38-27)12-23(18)37-16(3)26(33)30-22(28(34)35-4)10-17-6-8-19(31)9-7-17/h6-9,11-14,16,22,31H,5,10H2,1-4H3,(H,30,33)/t16?,22-/m1/s1
InChIKey
MLNDWKPXNPZPRI-VXNXSFHZSA-N
Synonyms
318481-37-7
(2R)methyl2(2((6ethyl3(4methylthiazol2yl)4oxo4Hchromen7yl)oxy)propanamido)3(4hydroxyphenyl)propanoate
16395674
318481377
COC(=O)(C@@H)(Cc1ccc(cc1)O)NC(=O)C(Oc1cc2occ(c(=O)c2cc1CC)c1scc(n1)C)C
InChI=1SC28H28N2O7Sc1518112024(361321(25(20)32)272915(2)143827)1223(18)3716(3)26(33)3022(28(34)354)10176819(31)9717h691114162231H510H214H3(H3033)t16?22m1s1
methyl(2~(R))2(2(6ethyl3(4methyl13thiazol2yl)4oxochromen7yl)oxypropanoylamino)3(4hydroxyphenyl)propanoate
methylN(2((6ethyl3(4methyl13thiazol2yl)4oxo4Hchromen7yl)oxy)propanoyl)Dtyrosinate
MFCD01083279
ZINC000002106195
ZINC000002106196

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Available files

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