Vitas-M small molecule compound
4-({[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}amino)-N-(pyridin-3-yl)butanamide
Catalog ID
STL561637
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCCC(=O)Nc1cccnc1)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C36H34ClN3O9 MW 688.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34ClN3O9/c1-19-15-25-29(34(43)36(19)35(44)30-24(46-3)17-26(47-4)31(37)33(30)49-36)23(32(48-25)20-9-11-22(45-2)12-10-20)16-28(42)39-14-6-8-27(41)40-21-7-5-13-38-18-21/h5,7,9-13,17-19H,6,8,14-16H2,1-4H3,(H,39,42)(H,40,41)/t19-,36+/m1/s1InChIKey
MRJNFBITTBXFRU-TVKFYGHBSA-NSynonyms
145704994
4((((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetyl)amino)N(pyridin3yl)butanamide
4((2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)acetyl)amino)Npyridin3ylbutanamide
4(2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)acetamido)N(pyridin3yl)butanamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCCC(=O)Nc1cccnc1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC36H34ClN3O9c119152529(34(43)36(19)35(44)3024(463)1726(474)31(37)33(30)4936)23(32(4825)2091122(452)121020)1628(42)39146827(41)40217513381821h579131719H681416H214H3(H3942)(H4041)t1936+m1s1
MFCD32650702
ZINC001848442872
Check stock
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Check stock on Vitas-MAvailable files
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