Vitas-M small molecule compound
3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-3-(4-hydroxy-3-methoxyphenyl)-N-{4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}propanamide
Catalog ID
STL552303
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C41H44ClN3O11 MW 790.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H44ClN3O11/c1-21-13-28(47)35(39(51)41(21)40(52)36-30(54-3)17-31(55-4)37(42)38(36)56-41)25(23-10-11-27(46)29(15-23)53-2)16-32(48)43-12-6-9-33(49)44-18-22-14-24(20-44)26-7-5-8-34(50)45(26)19-22/h5,7-8,10-11,15,17,21-22,24-25,46,51H,6,9,12-14,16,InChIKey
WNFHKWHKKPPMAH-CKYCTISXSA-NSynonyms
135640560
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(4oxo4((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
DO(12A)(15)DIAZOCIN3(4H)YL)BUTYL)PROPANAMIDE
InChI=1SC41H44ClN3O11c1211328(47)35(39(51)41(21)40(52)3630(543)1731(554)37(42)38(36)5641)25(23101127(46)29(1523)532)1632(48)43126933(49)4418221424(2044)2675834(50)45(26)1922h57810111517212224254651H691214161820H214H3(H4348)t21?2224+25?41?m1s1
ZINC001547138934
ZINC001547208888
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