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-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)acetamide
Catalog ID
STL561855
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NC1CCc3c(N=C1O)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 C37H33ClN2O9 MW 685.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33ClN2O9/c1-18-15-26-29(34(42)37(18)35(43)30-25(46-3)17-27(47-4)31(38)33(30)49-37)22(32(48-26)20-9-12-21(45-2)13-10-20)16-28(41)39-24-14-11-19-7-5-6-8-23(19)40-36(24)44/h5-10,12-13,17-18,24H,11,14-16H2,1-4H3,(H,39,41)(H,40,44)/t18-,24?,37+/m1InChIKey
WBYGMTNROLWMSZ-KFZSCNNUSA-NSynonyms
145705209
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2hydroxy45dihydro3H1benzazepin3yl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2oxo1345tetrahydro1benzazepin3yl)acetamide
InChI=1SC37H33ClN2O9c118152629(34(42)37(18)35(43)3025(463)1727(474)31(38)33(30)4937)22(32(4826)2091221(452)131020)1628(41)3924141119756823(19)4036(24)44h5101213171824H111416H214H3(H3941)(H4044)t1824?37+m1s1
MFCD32650916
ZINC001848443121
ZINC001848443122
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