Vitas-M small molecule compound

2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-D-glucopyranoside

Catalog ID
STL525059
SMILES CC(=O)OC[C@H]1OC(Oc2ccc3c(c2)oc(c(c3=O)c2csc(n2)C)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 C28H29NO12S MW 603.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO12S/c1-12-23(20-11-42-13(2)29-20)24(34)19-8-7-18(9-21(19)36-12)40-28-27(39-17(6)33)26(38-16(5)32)25(37-15(4)31)22(41-28)10-35-14(3)30/h7-9,11,22,25-28H,10H2,1-6H3/t22-,25-,26+,27-,28?/m1/s1
InChIKey
MPYSQDHQADOJMQ-UPWJCTTDSA-N
Synonyms

((2~(R)3~(R)4~(S)5~(R))345triacetyloxy6(2methyl3(2methyl13thiazol4yl)4oxochromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6((2methyl3(2methylthiazol4yl)4oxo4Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
16396013
2methyl3(2methyl13thiazol4yl)4oxo4Hchromen7yl2346tetraOacetylDglucopyranoside
CC(=O)OC(C@H)1OC(Oc2ccc3c(c2)oc(c(c3=O)c2csc(n2)C)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC28H29NO12Sc11223(20114213(2)2920)24(34)198718(921(19)3612)402827(3917(6)33)26(3816(5)32)25(3715(4)31)22(4128)103514(3)30h7911222528H10H216H3t222526+2728?m1s1
MFCD01547350
ZINC000070665809
ZINC000070665811

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Available files

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