Vitas-M small molecule compound

ethyl (1'S,2'S,3R,3a'R)-2'-[(2,5-dimethoxyphenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate

Catalog ID
STK626660
SMILES CCOC(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1cc(OC)ccc1OC)C(=O)Nc1c2cccc1

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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 C31H28N2O6 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6/c1-4-39-29(35)27-26(28(34)20-17-19(37-2)14-15-24(20)38-3)31(21-10-6-7-11-22(21)32-30(31)36)25-16-13-18-9-5-8-12-23(18)33(25)27/h5-17,25-27H,4H2,1-3H3,(H,32,36)/t25-,26+,27+,31-/m1/s1
InChIKey
RMTYIWZPJBPETB-ANOKCIKSSA-N
Synonyms
1212480-06-2
(1S2S3R3aR)ethyl2(25dimethoxybenzoyl)2oxo23adihydro1Hspiro(indoline33pyrrolo(12a)quinoline)1carboxylate
1212480062
CCOC(=O)(C@H)1N2c3ccccc3C=C(C@@H)2(C@)2((C@@H)1C(=O)c1cc(OC)ccc1OC)C(=O)Nc1c2cccc1
CCOC(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C5=CC=CC=C5NC2=O)C(=O)C6=C(C=CC(=C6)OC)OC
ethyl(1S2S3R3aR)2((25dimethoxyphenyl)carbonyl)2oxo1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinoline)1carboxylate
ethyl(1S2S3R3aR)2(25dimethoxybenzoyl)2oxospiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)1carboxylate
InChI=1SC31H28N2O6c143929(35)2726(28(34)201719(372)141524(20)383)31(2110671122(21)3230(31)36)251613189581223(18)33(25)27h5172527H4H213H3(H3236)t2526+27+31m1s1
MFCD18246480
ZINC000033929227
ZINC33929227

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Available files

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