Vitas-M small molecule compound

3-[(3a'S,6a'R)-5,7-dimethyl-2,4',6'-trioxo-5'-(2-phenylethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide

Catalog ID
STL531608
SMILES NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1C

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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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-14-12-15(2)22-17(13-14)26(25(34)28-22)21-20(18(29-26)8-9-19(27)31)23(32)30(24(21)33)11-10-16-6-4-3-5-7-16/h3-7,12-13,18,20-21,29H,8-11H2,1-2H3,(H2,27,31)(H,28,34)/t18?,20-,21+,26?/m1/s1
InChIKey
JLRMLSBSAUWVEO-FOXWCKEESA-N
Synonyms
956827-62-6
16405177
3((3~(a)~(R)6~(a)~(S))57dimethyl246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanamide
3((3aS6aR)57dimethyl246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)57dimethyl246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
956827626
InChI=1SC26H28N4O4c1141215(2)2217(1314)26(25(34)2822)2120(18(2926)8919(27)31)23(32)30(24(21)33)1110166435716h37121318202129H811H212H3(H22731)(H2834)t18?2021+26?m1s1
MFCD06769283
NC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1C
ZINC000015969928
ZINC000015969934

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Available files

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