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-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561582
SMILES COc1cc(cc(c1OC)OC)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 C38H39ClN2O11 MW 735.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39ClN2O11/c1-18-13-24(42)30(35(44)38(18)36(45)31-25(47-2)17-26(48-3)32(39)34(31)52-38)21(20-14-27(49-4)33(51-6)28(15-20)50-5)16-29(43)40-23-12-11-19-9-7-8-10-22(19)41-37(23)46/h7-10,14-15,17-18,21,23,44H,11-13,16H2,1-6H3,(H,40,43)(H,41,46)/t1InChIKey
IWFZDPFLWBZYKV-UIFNHGQUSA-NSynonyms
145704939
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2oxo1345tetrahydro1benzazepin3yl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2hydroxy45dihydro3H1benzazepin3yl)3(345trimethoxyphenyl)propanamide
InChI=1SC38H39ClN2O11c1181324(42)30(35(44)38(18)36(45)3125(472)1726(483)32(39)34(31)5238)21(201427(494)33(516)28(1520)505)1629(43)40231211199781022(19)4137(23)46h71014151718212344H111316H216H3(H4043)(H4146)t1821?23?38+m1s1
MFCD32650647
ZINC001848442770
ZINC001848442773
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