Vitas-M small molecule compound
ethyl 4-({[(2'S,3R,7a'S)-5-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2'-yl]carbonyl}amino)benzoate
Catalog ID
STL533946
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(C)cc1)CCC2
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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-3-32-23(30)16-7-9-17(10-8-16)26-22(29)20-14-18-5-4-12-28(18)25(20)19-13-15(2)6-11-21(19)27-24(25)31/h6-11,13,18,20H,3-5,12,14H2,1-2H3,(H,26,29)(H,27,31)/t18-,20+,25-/m0/s1InChIKey
UQFKYCDFYIAIJQ-NNPDTBDGSA-NSynonyms
956971-69-016408537
956971690
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@H)2N((C@@)31C(=O)Nc1c3cc(C)cc1)CCC2
ethyl4((((2S3R7aS)5methyl2oxo11225677aoctahydrospiro(indole33pyrrolizin)2yl)carbonyl)amino)benzoate
ethyl4(((2~(S)3~(R)8~(S))5methyl2oxospiro(125678hexahydropyrrolizine331~(H)indole)2carbonyl)amino)benzoate
ethyl4((2S3R7aS)5methyl2oxo125677ahexahydrospiro(indoline33pyrrolizin)2ylcarboxamido)benzoate
InChI=1SC25H27N3O4c133223(30)167917(10816)2622(29)201418541228(18)25(20)191315(2)61121(19)2724(25)31h611131820H351214H212H3(H2629)(H2731)t1820+25m0s1
MFCD07637848
ZINC000062001273
ZINC62001273
Check stock
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Check stock on Vitas-MAvailable files
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