Vitas-M small molecule compound

(1Z,3R,4R,5S,6R,9R,10S,11S,12R)-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-8-oxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranosyl]oxy}-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-D-ribo-hexopyranoside

Catalog ID
STL524632
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2O[C@H](C)[C@H]([C@@](C2)(C)OC)O)[C@@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@]2(O/C(=N\[C@@H]([C@@H]([C@]1(C)O)O)C)/C(C)C2)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 C37H66N2O12 MW 730.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18?,19-,20+,21-,22-,23-,24+,25-,2
InChIKey
BPENQAXMHXRNMD-QMFAJNJCSA-N
Synonyms

(1Z3R4R5S6R9R10S11S12R)6ethyl45dihydroxy359111315hexamethyl8oxo12((346trideoxy3(dimethylamino)Dxylohexopyranosyl)oxy)716dioxa2azabicyclo(1121)hexadec1en10yl26dideoxy3Cmethyl3OmethylDribohexopyranoside
CC(C@H)1OC(=O)(C@H)(C)(C@@H)(OC2O(C@H)(C)(C@H)((C@@)(C2)(C)OC)O)(C@H)(C)(C@@H)(OC2O(C@H)(C)C(C@@H)((C@H)2O)N(C)C)C2(OC(=N(C@@H)((C@H)((C@)1(C)O)O)C)C(C)C2)C
InChI=1SC37H66N2O12c1142537(1044)29(41)22(6)383218(2)1636(95132)31(503427(40)24(39(11)12)1519(3)4634)20(4)28(21(5)33(43)4825)49261735(84513)30(42)23(7)4726h183134404244H1417H2113H3b3832t18?1920+21222324+2526?2728+29303134?35+36?37m1s1
MFCD01544797
ZINC001534514511
ZINC001534514532

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Available files

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