Vitas-M small molecule compound
2-[(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]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide
Catalog ID
STL561564
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)N1CCc3c(C1)cccc3)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 C38H35ClN2O9 MW 699.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN2O9/c1-20-15-27-31(36(44)38(20)37(45)32-26(47-3)17-28(48-4)33(39)35(32)50-38)25(34(49-27)22-9-11-24(46-2)12-10-22)16-29(42)40-18-30(43)41-14-13-21-7-5-6-8-23(21)19-41/h5-12,17,20H,13-16,18-19H2,1-4H3,(H,40,42)/t20-,38+/m1/s1InChIKey
LNTBOFLZMDVIPR-UNFLUOAUSA-NSynonyms
145704921
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2(34dihydro1Hisoquinolin2yl)2oxoethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)N1CCc3c(C1)cccc3)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC38H35ClN2O9c120152731(36(44)38(20)37(45)3226(473)1728(484)33(39)35(32)5038)25(34(4927)2291124(462)121022)1629(42)401830(43)41141321756823(21)1941h5121720H13161819H214H3(H4042)t2038+m1s1
MFCD32650629
ZINC001848442850
Check stock
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