Vitas-M small molecule compound

4-[(3S,3a'R,8a'S,8b'S)-5-methyl-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl]phenyl acetate

Catalog ID
STL537333
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-13-5-10-18-17(12-13)25(24(32)26-18)21-20(19-4-3-11-27(19)25)22(30)28(23(21)31)15-6-8-16(9-7-15)33-14(2)29/h5-10,12,19-21H,3-4,11H2,1-2H3,(H,26,32)/t19-,20+,21-,25+/m0/s1
InChIKey
QIFJRSYJVPXERO-UGCAPWQASA-N
Synonyms
956990-70-8
(4((3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5methyl123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)phenyl)acetate
16399456
4((3S3aR8aS8bS)5methyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)phenylacetate
4((3S3aR8aS8bS)5methyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)phenylacetate
956990708
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2
InChI=1SC25H23N3O5c1135101817(1213)25(24(32)2618)2120(19431127(19)25)22(30)28(23(21)31)156816(9715)3314(2)29h510121921H3411H212H3(H2632)t1920+2125+m0s1
MFCD04143800
ZINC000059415194
ZINC59415194

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.