Vitas-M small molecule compound
methyl 2-[(3S,3'S,3a'S,6a'R)-3'-methyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Catalog ID
STL528053
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@H]2C)C(=O)Nc2c1cccc2
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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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c1-11-16-17(22(24-11)13-8-4-5-9-14(13)23-21(22)29)19(27)25(18(16)26)15-10-6-3-7-12(15)20(28)30-2/h3-11,16-17,24H,1-2H3,(H,23,29)/t11-,16+,17-,22+/m0/s1InChIKey
OKISHOABKILAIY-MLDUYPQVSA-NSynonyms
956188-44-67083887
956188446
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N(C@H)2C)C(=O)Nc2c1cccc2
InChI=1SC22H19N3O5c1111617(22(2411)13845914(13)2321(22)29)19(27)25(18(16)26)151063712(15)20(28)302h311161724H12H3(H2329)t1116+1722+m0s1
methyl2((1~(S)3~(S)3~(a)~(R)6~(a)~(S))1methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
METHYL2((1S3S3AR6AS)1METHYL246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)5YL)BENZOATE
methyl2((1S3S3aS6aR)3methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3S3S3aS6aR)3methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD03852682
ZINC000035361887
ZINC35361887
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.