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-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL552118
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCc2c(N=C1O)cccc2
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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 C40H46N2O10 MW 714.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46N2O10/c1-23-11-10-15-27(43)14-7-5-6-13-25-19-31(44)36(37(46)35(25)40(48)52-23)28(26-20-32(49-2)38(51-4)33(21-26)50-3)22-34(45)41-30-18-17-24-12-8-9-16-29(24)42-39(30)47/h6,8-9,12-13,16,19-21,23,28,30,44,46H,5,7,10-11,14-15,17-18,22H2,1-4H3,InChIKey
VIQBQBPSYGKTCT-ILIWDGMKSA-NSynonyms
135640409
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2hydroxy45dihydro3H1benzazepin3yl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2oxo1345tetrahydro1benzazepin3yl)3(345trimethoxyphenyl)propanamide
InChI=1SC40H46N2O10c12311101527(43)1475613251931(44)36(37(46)35(25)40(48)5223)28(262032(492)38(514)33(2126)503)2234(45)413018172412891629(24)4239(30)47h68912131619212328304446H5710111415171822H214H3(H4145)(H4247)b136+t2328?30?m0s1
ZINC001547139608
ZINC001547139611
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