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-{(2S)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}acetamide
Catalog ID
STL561818
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)N[C@H](C(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)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 C41H40ClN3O10 MW 770.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40ClN3O10/c1-20-13-29-33(38(48)41(20)39(49)34-28(52-4)16-30(53-5)35(42)37(34)55-41)26(36(54-29)23-9-11-25(51-3)12-10-23)15-31(46)43-21(2)40(50)44-17-22-14-24(19-44)27-7-6-8-32(47)45(27)18-22/h6-12,16,20-22,24H,13-15,17-19H2,1-5H3,(H,43,46)/t2InChIKey
JMGVXEUIRSNYMU-OQUNNBBUSA-NSynonyms
145705173
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((2S)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((2S)1oxo1((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)propan2yl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)N(C@H)(C(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
IDO(12A)(15)DIAZOCIN3(4H)YL)PROPAN2YL)ACETAMIDE
InChI=1SC41H40ClN3O10c120132933(38(48)41(20)39(49)3428(524)1630(535)35(42)37(34)5541)26(36(5429)2391125(513)121023)1531(46)4321(2)40(50)4417221424(1944)2776832(47)45(27)1822h61216202224H13151719H215H3(H4346)t2021+2224+41+m1s1
MFCD32650881
ZINC001848442790
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