Vitas-M small molecule compound

4-[(3R,3'S,3a'S,6a'R)-3'-benzyl-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]phenyl acetate

Catalog ID
STL007613
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2Cc2ccccc2)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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-16(32)36-19-13-11-18(12-14-19)31-25(33)23-22(15-17-7-3-2-4-8-17)30-28(24(23)26(31)34)20-9-5-6-10-21(20)29-27(28)35/h2-14,22-24,30H,15H2,1H3,(H,29,35)/t22-,23+,24-,28-/m0/s1
InChIKey
WYQJUIYDCASQSO-IMBSWCNGSA-N
Synonyms
956936-33-7
(4((1S3R3aR6aS)1benzyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
4((1R3S3aS6aR)3benzyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
4((3R3S3aS6aR)3benzyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
956936337
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=CC=C6
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@)1(N(C@H)2Cc2ccccc2)C(=O)Nc2c1cccc2
InChI=1SC28H23N3O5c116(32)3619131118(121419)3125(33)2322(15177324817)3028(24(23)26(31)34)209561021(20)2927(28)35h214222430H15H21H3(H2935)t2223+2428m0s1
ZINC000015958023
ZINC15958023

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Available files

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