Vitas-M small molecule compound

2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside

Catalog ID
STK177289
SMILES CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O

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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 C38H72N2O12 MW 749.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3
InChIKey
MQTOSJVFKKJCRP-UHFFFAOYSA-N
Synonyms
117772-70-0
11(4(dimethylamino)3hydroxy6methyloxan2yl)oxy2ethyl3410trihydroxy13(5hydroxy4methoxy46dimethyloxan2yl)oxy3568101214heptamethyl1oxa6azacyclopentadecan15one
117772700
2ethyl3410trihydroxy3568101214heptamethyl15oxo11((346trideoxy3(dimethylamino)hexopyranosyl)oxy)1oxa6azacyclopentadecan13yl26dideoxy3Cmethyl3Omethylhexopyranoside
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI=1SC38H72N2O12c1152738(1046)31(42)24(6)40(13)1920(2)1736(845)33(523529(41)26(39(11)12)1621(3)4835)22(4)30(23(5)34(44)5027)51281837(94714)32(43)25(7)4928h20333541434546H1519H2114H3
MFCD03191387
ZINC000239347287
ZINC000239347290

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Available files

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