Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-[1-(4-hydroxy-3-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)propyl]-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL552001
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCCCC1
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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 C31H34ClNO9 MW 600.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO9/c1-16-12-20(35)25(29(37)31(16)30(38)26-22(40-3)15-23(41-4)27(32)28(26)42-31)18(14-24(36)33-10-6-5-7-11-33)17-8-9-19(34)21(13-17)39-2/h8-9,13,15-16,18,34,37H,5-7,10-12,14H2,1-4H3/t16-,18?,31+/m1/s1InChIKey
CMRPFKMLAGSSEM-PGTSUYOHSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(piperidin1yl)propyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3oxo3piperidin1ylpropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(piperidin1yl)propyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640310
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCCCC1
InChI=1SC31H34ClNO9c1161220(35)25(29(37)31(16)30(38)2622(403)1523(414)27(32)28(26)4231)18(1424(36)33106571133)178919(34)21(1317)392h89131516183437H57101214H214H3t1618?31+m1s1
ZINC001547139064
ZINC001547139070
Check stock
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Check stock on Vitas-MAvailable files
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