Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-{[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550392
SMILES COc1ccc(cc1)C(N(C)C)CNC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
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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 C27H31ClN2O6 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O6/c1-15-11-17(29-14-19(30(2)3)16-7-9-18(33-4)10-8-16)12-22(31)27(15)26(32)23-20(34-5)13-21(35-6)24(28)25(23)36-27/h7-10,12-13,15,19,29H,11,14H2,1-6H3/t15-,19?,27+/m1/s1InChIKey
HUZQOBJWPCAEMH-ZSWPPEEYSA-NSynonyms
(1S6R)7chloro4((2(dimethylamino)2(4methoxyphenyl)ethyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((2(dimethylamino)2(4methoxyphenyl)ethyl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2(dimethylamino)2(4methoxyphenyl)ethyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253681
COc1ccc(cc1)C(N(C)C)CNC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC27H31ClN2O6c1151117(291419(30(2)3)167918(334)10816)1222(31)27(15)26(32)2320(345)1321(356)24(28)25(23)3627h7101213151929H1114H216H3t1519?27+m1s1
ZINC000604404004
ZINC000604404005
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