Vitas-M small molecule compound
ethyl 4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-L-glucopyranosyl)oxy]-3-(1,3-thiazol-4-yl)-4H-chromene-2-carboxylate
Catalog ID
STL525268
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1cscn1)O[C@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)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 C29H29NO14S MW 647.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO14S/c1-6-37-28(36)25-22(19-11-45-12-30-19)23(35)18-8-7-17(9-20(18)43-25)42-29-27(41-16(5)34)26(40-15(4)33)24(39-14(3)32)21(44-29)10-38-13(2)31/h7-9,11-12,21,24,26-27,29H,6,10H2,1-5H3/t21-,24-,26+,27-,29-/m0/s1InChIKey
SFBDPQSPXMSRAI-YAOHRGSISA-NSynonyms
312964-94-6(2S3S4R5S6R)2(acetoxymethyl)6((2(ethoxycarbonyl)4oxo3(thiazol4yl)4Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
16395125
312964946
CCOC(=O)c1oc2cc(ccc2c(=O)c1c1cscn1)O(C@H)1O(C@@H)(COC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
ethyl4oxo3(13thiazol4yl)7((2~(R)3~(S)4~(R)5~(S)6~(S))345triacetyloxy6(acetyloxymethyl)oxan2yl)oxychromene2carboxylate
ethyl4oxo7((2346tetraOacetylbetaLglucopyranosyl)oxy)3(13thiazol4yl)4Hchromene2carboxylate
InChI=1SC29H29NO14Sc163728(36)2522(191145123019)23(35)188717(920(18)4325)422927(4116(5)34)26(4015(4)33)24(3914(3)32)21(4429)103813(2)31h7911122124262729H610H215H3t212426+2729m0s1
MFCD01543726
ZINC000085866771
ZINC85866771
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.