Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-{[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]amino}-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL566501
SMILES COCCN1CCn2c(C1)nc1c2ccc(c1)NC1=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 C29H31ClN4O6 MW 567.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN4O6/c1-16-11-18(13-23(35)29(16)28(36)25-21(38-3)14-22(39-4)26(30)27(25)40-29)31-17-5-6-20-19(12-17)32-24-15-33(9-10-37-2)7-8-34(20)24/h5-6,12-14,16,31H,7-11,15H2,1-4H3/t16-,29+/m1/s1InChIKey
VLQZMLMYUQFXDH-BCOMRZATSA-NSynonyms
(1S6R)7chloro46dimethoxy4((2(2methoxyethyl)1234tetrahydrobenzo(45)imidazo(12a)pyrazin8yl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2S5R)7chloro46dimethoxy3((2(2methoxyethyl)34dihydro1Hpyrazino(12a)benzimidazol8yl)amino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((2(2methoxyethyl)1234tetrahydropyrazino(12a)benzimidazol8yl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252882
COCCN1CCn2c(C1)nc1c2ccc(c1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC29H31ClN4O6c1161118(1323(35)29(16)28(36)2521(383)1422(394)26(30)27(25)4029)3117562019(1217)32241533(910372)7834(20)24h5612141631H71115H214H3t1629+m1s1
MFCD32652002
ZINC000604405775
Check stock
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Check stock on Vitas-MAvailable files
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