Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL552433
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)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 C36H35ClN2O10 MW 691.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClN2O10/c1-17-13-24(41)29(33(43)36(17)34(44)30-26(47-3)16-27(48-4)31(37)32(30)49-36)20(19-10-12-23(40)25(14-19)46-2)15-28(42)38-22-11-9-18-7-5-6-8-21(18)39-35(22)45/h5-8,10,12,14,16-17,20,22,40,43H,9,11,13,15H2,1-4H3,(H,38,42)(H,39,45)/t17-InChIKey
FGCBNZKJFHEUPN-RUSCRCOXSA-NSynonyms
132351827
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2oxo1345tetrahydro1benzazepin3yl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2HYDROXY45DIHYDRO3H1BENZAZEPIN3YL)3(4HYDROXY3METHOXYPHENYL)PROPANAM
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2hydroxy45dihydro3H1benzazepin3yl)3(4hydroxy3methoxyphenyl)propanamide
InChI=1SC36H35ClN2O10c1171324(41)29(33(43)36(17)34(44)3026(473)1627(484)31(37)32(30)4936)20(19101223(40)25(1419)462)1528(42)382211918756821(18)3935(22)45h58101214161720224043H9111315H214H3(H3842)(H3945)t1720?22?36+m1s1
ZINC000824595841
ZINC000824595844
Check stock
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Check stock on Vitas-MAvailable files
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