Vitas-M small molecule compound
ethyl 4-({[(2'S,3R,7a'S)-5-chloro-7-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2'-yl]carbonyl}amino)benzoate
Catalog ID
STK607072
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(Cl)cc1C)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 C25H26ClN3O4 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O4/c1-3-33-23(31)15-6-8-17(9-7-15)27-22(30)20-13-18-5-4-10-29(18)25(20)19-12-16(26)11-14(2)21(19)28-24(25)32/h6-9,11-12,18,20H,3-5,10,13H2,1-2H3,(H,27,30)(H,28,32)/t18-,20+,25-/m0/s1InChIKey
DJEIXMPUWMBXGD-NNPDTBDGSA-NSynonyms
1014063-11-61014063116
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3CCCN3C24C5=CC(=CC(=C5NC4=O)C)Cl
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@H)2N((C@@)31C(=O)Nc1c3cc(Cl)cc1C)CCC2
ethyl4((((2S3R7aS)5chloro7methyl2oxo11225677aoctahydrospiro(indole33pyrrolizin)2yl)carbonyl)amino)benzoate
ethyl4(((2S3R8S)5chloro7methyl2oxospiro(125678hexahydropyrrolizine331Hindole)2carbonyl)amino)benzoate
ethyl4((2S3R7aS)5chloro7methyl2oxo125677ahexahydrospiro(indoline33pyrrolizin)2ylcarboxamido)benzoate
InChI=1SC25H26ClN3O4c133323(31)156817(9715)2722(30)201318541029(18)25(20)191216(26)1114(2)21(19)2824(25)32h6911121820H351013H212H3(H2730)(H2832)t1820+25m0s1
MFCD08284754
ZINC000057140110
ZINC57140110
Check stock
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Check stock on Vitas-MAvailable files
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