Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561624
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1c[nH]c2c1cc(O)cc2
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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 C38H39ClN2O11 MW 735.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39ClN2O11/c1-18-11-25(43)31(36(45)38(18)37(46)32-26(47-2)16-27(48-3)33(39)35(32)52-38)23(20-12-28(49-4)34(51-6)29(13-20)50-5)15-30(44)40-10-9-19-17-41-24-8-7-21(42)14-22(19)24/h7-8,12-14,16-18,23,41-42,45H,9-11,15H2,1-6H3,(H,40,44)/t18-,23?,3InChIKey
UGKVOMBOEBIPLF-GCXQFORDSA-NSynonyms
145704981
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(5hydroxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1c(nH)c2c1cc(O)cc2
InChI=1SC38H39ClN2O11c1181125(43)31(36(45)38(18)37(46)3226(472)1627(483)33(39)35(32)5238)23(201228(494)34(516)29(1320)505)1530(44)40109191741248721(42)1422(19)24h781214161823414245H91115H216H3(H4044)t1823?38+m1s1
MFCD32650689
ZINC001848443067
ZINC001848443068
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