Vitas-M small molecule compound

3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(dimethylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551829
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCN(C)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 C34H46N2O9 MW 626.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N2O9/c1-21-11-10-14-24(37)13-9-7-8-12-22-17-26(38)31(32(40)30(22)34(41)45-21)25(20-29(39)35-15-16-36(2)3)23-18-27(42-4)33(44-6)28(19-23)43-5/h8,12,17-19,21,25,38,40H,7,9-11,13-16,20H2,1-6H3,(H,35,39)/b12-8+/t21-,25?/m0/s1
InChIKey
OCTMXPODRQMMLF-DSHZJSFDSA-N
Synonyms

135640167
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(dimethylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(dimethylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(dimethylamino)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCN(C)C
InChI=1SC34H46N2O9c12111101424(37)1397812221726(38)31(32(40)30(22)34(41)4521)25(2029(39)35151636(2)3)231827(424)33(446)28(1923)435h812171921253840H7911131620H216H3(H3539)b128+t2125?m0s1
ZINC001547139207
ZINC001547139209

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Available files

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