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-methoxy-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561776
SMILES COc1ccc2c(c1)c(CCNC(=O)CC(C1=C(O)[C@]3([C@@H](CC1=O)C)Oc1c(C3=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC)c[nH]2

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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 C39H41ClN2O11 MW 749.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H41ClN2O11/c1-19-12-26(43)32(37(45)39(19)38(46)33-27(48-3)17-28(49-4)34(40)36(33)53-39)24(21-13-29(50-5)35(52-7)30(14-21)51-6)16-31(44)41-11-10-20-18-42-25-9-8-22(47-2)15-23(20)25/h8-9,13-15,17-19,24,42,45H,10-12,16H2,1-7H3,(H,41,44)/t19-,24?,
InChIKey
YYIGOAOTYDYANW-XGEPGBBGSA-N
Synonyms

145705132
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5methoxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(5methoxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5methoxy1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1ccc2c(c1)c(CCNC(=O)CC(C1=C(O)(C@)3((C@@H)(CC1=O)C)Oc1c(C3=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC)c(nH)2
InChI=1SC39H41ClN2O11c1191226(43)32(37(45)39(19)38(46)3327(483)1728(494)34(40)36(33)5339)24(211329(505)35(527)30(1421)516)1631(44)411110201842259822(472)1523(20)25h8913151719244245H101216H217H3(H4144)t1924?39+m1s1
MFCD32650841
ZINC001848443210
ZINC001848443211

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Available files

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