Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL561859
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)c1ccccc1O
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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 C36H37ClN2O10 MW 693.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37ClN2O10/c1-19-15-25(42)30(34(44)36(19)35(45)31-27(47-3)18-28(48-4)32(37)33(31)49-36)21(20-9-10-24(41)26(16-20)46-2)17-29(43)39-13-11-38(12-14-39)22-7-5-6-8-23(22)40/h5-10,16,18-19,21,40-41,44H,11-15,17H2,1-4H3/t19-,21?,36+/m1/s1InChIKey
GQQCDBVCYWZKJN-AXGMEQHNSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(4(2hydroxyphenyl)piperazin1yl)3oxopropyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2S5R)7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3(4(2hydroxyphenyl)piperazin1yl)3oxopropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(4(2hydroxyphenyl)piperazin1yl)3oxopropyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
145705213
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)c1ccccc1O
InChI=1SC36H37ClN2O10c1191525(42)30(34(44)36(19)35(45)3127(473)1828(484)32(37)33(31)4936)21(2091024(41)26(1620)462)1729(43)39131138(121439)22756823(22)40h51016181921404144H111517H214H3t1921?36+m1s1
MFCD32650920
ZINC001848442710
ZINC001848442711
Check stock
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