Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-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
STL531446
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2
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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 C32H28N4O5 MW 548.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O5/c1-3-41-30(39)18-9-11-20(12-10-18)36-28(37)26-25(15-19-16-33-23-7-5-4-6-21(19)23)35-32(27(26)29(36)38)22-14-17(2)8-13-24(22)34-31(32)40/h4-14,16,25-27,33,35H,3,15H2,1-2H3,(H,34,40)/t25?,26-,27+,32?/m1/s1InChIKey
BQISCCZYILXTSA-XKOGGIFOSA-NSynonyms
956936-56-416403907
956936564
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(C)cc2
ethyl4((3~(a)~(R)6~(a)~(S))1(1~(H)indol3ylmethyl)5methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
ethyl4((3aS6aR)3((1Hindol3yl)methyl)5methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
ethyl4((3aS6aR)3(1Hindol3ylmethyl)5methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
InChI=1SC32H28N4O5c134130(39)1891120(121018)3628(37)2625(1519163323754621(19)23)3532(27(26)29(36)38)221417(2)81324(22)3431(32)40h4141625273335H315H212H3(H3440)t25?2627+32?m1s1
MFCD06765592
ZINC000070699624
ZINC000070699629
Check stock
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Check stock on Vitas-MAvailable files
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