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-(methylsulfanyl)-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]buta
Catalog ID
STL551665
SMILES CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
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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 C42H46ClN3O11S MW 836.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H46ClN3O11S/c1-21-13-29(48)35(39(51)42(21)40(52)36-31(55-3)17-32(56-4)37(43)38(36)57-42)25(23-9-10-28(47)30(15-23)54-2)16-33(49)44-26(11-12-58-5)41(53)45-18-22-14-24(20-45)27-7-6-8-34(50)46(27)19-22/h6-10,15,17,21-22,24-26,47,51H,11-14,16,18-2InChIKey
YTUUQMIKOACBMQ-VNXRMZAKSA-NSynonyms
135640026
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(4methylsulfanyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butan2yl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(4(methylsulfanyl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)buta
CSCC(C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
InChI=1SC42H46ClN3O11Sc1211329(48)35(39(51)42(21)40(52)3631(553)1732(564)37(43)38(36)5742)25(2391028(47)30(1523)542)1633(49)4426(1112585)41(53)4518221424(2045)2776834(50)46(27)1922h6101517212224264751H1114161820H215H3(H4449)t21?2224+25?26?42?m1s1
ZINC001547208890
ZINC001547208893
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