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-(methylsulfanyl)phenyl]-N-{6-oxo-6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]hexyl}propanamide

Catalog ID
STL551663
SMILES CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCC(=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 C43H48ClN3O9S MW 818.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H48ClN3O9S/c1-24-17-31(48)37(41(52)43(24)42(53)38-32(54-2)20-33(55-3)39(44)40(38)56-43)29(26-12-14-28(57-4)15-13-26)19-34(49)45-16-7-5-6-10-35(50)46-21-25-18-27(23-46)30-9-8-11-36(51)47(30)22-25/h8-9,11-15,20,24-25,27,29,52H,5-7,10,16-19,21-23
InChIKey
FFSMFOZZLUENHY-QVKIHIEQSA-N
Synonyms

135640024
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(6oxo6((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)hexyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC43H48ClN3O9Sc1241731(48)37(41(52)43(24)42(53)3832(542)2033(553)39(44)40(38)5643)29(26121428(574)151326)1934(49)45167561035(50)4621251827(2346)30981136(51)47(30)2225h891115202425272952H571016192123H214H3(H4549)t24?2527+29?43?m1s1
O(12A)(15)DIAZOCIN3(4H)YL)HEXYL)PROPANAMIDE
ZINC001547138281
ZINC001547206308

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Available files

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