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-hexadecyl-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL551811
SMILES CCCCCCCCCCCCCCCCNC(=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
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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 C42H58ClNO9 MW 756.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H58ClNO9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-44-35(47)25-29(28-20-21-30(45)32(24-28)50-3)36-31(46)23-27(2)42(40(36)48)41(49)37-33(51-4)26-34(52-5)38(43)39(37)53-42/h20-21,24,26-27,29,45,48H,6-19,22-23,25H2,1-5H3,(H,44,47)/t27-,29?,42+/InChIKey
VACBPTGYSJTIFG-GFUJYMOXSA-NSynonyms
132352205
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)Nhexadecyl3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)hexadecyl3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)Nhexadecyl3(4hydroxy3methoxyphenyl)propanamide
CCCCCCCCCCCCCCCCNC(=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=1SC42H58ClNO9c1678910111213141516171819224435(47)2529(28202130(45)32(2428)503)3631(46)2327(2)42(40(36)48)41(49)3733(514)2634(525)38(43)39(37)5342h2021242627294548H619222325H215H3(H4447)t2729?42+m1s1
ZINC000822844793
ZINC000822844810
Check stock
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Check stock on Vitas-MAvailable files
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