Vitas-M small molecule compound

5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL535552
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2C)COc2ccc(cc2)C(C)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=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 C28H38N4O9S MW 606.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4O9S/c1-15(33)29-23-25(40-18(4)36)24(39-17(3)35)21(13-37-16(2)34)41-26(23)42-27-31-30-22(32(27)8)14-38-20-11-9-19(10-12-20)28(5,6)7/h9-12,21,23-26H,13-14H2,1-8H3,(H,29,33)/t21-,23-,24-,25-,26+/m1/s1
InChIKey
VUEIIBXTOTUGJY-OSQINFKHSA-N
Synonyms
1014039-59-8
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((5((4~(tert)butylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((5((4(tertbutyl)phenoxy)methyl)4methyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
1014039598
17572256
5((4tertbutylphenoxy)methyl)4methyl4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2C)COc2ccc(cc2)C(C)(C)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC28H38N4O9Sc115(33)292325(4018(4)36)24(3917(3)35)21(133716(2)34)4126(23)4227313022(32(27)8)14382011919(101220)28(56)7h912212326H1314H218H3(H2933)t2123242526+m1s1
MFCD09843943
ZINC000070712294
ZINC70712294

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Available files

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