Vitas-M small molecule compound
4-[(3S,3a'R,8a'S,8b'S)-5,7-dimethyl-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
STL537205
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C
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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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-13-11-14(2)22-18(12-13)26(25(33)27-22)21-20(19-5-4-10-28(19)26)23(31)29(24(21)32)16-6-8-17(9-7-16)34-15(3)30/h6-9,11-12,19-21H,4-5,10H2,1-3H3,(H,27,33)/t19-,20+,21-,26+/m0/s1InChIKey
NSFCZYVYLZWZDW-KKPNIWNPSA-NSynonyms
956955-24-1(4((3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))57dimethyl123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)phenyl)acetate
16400964
4((3S3aR8aS8bS)57dimethyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)phenylacetate
4((3S3aR8aS8bS)57dimethyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)phenylacetate
956955241
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2C
InChI=1SC26H25N3O5c1131114(2)2218(1213)26(25(33)2722)2120(19541028(19)26)23(31)29(24(21)32)166817(9716)3415(3)30h6911121921H4510H213H3(H2733)t1920+2126+m0s1
MFCD05672314
ZINC000061997618
ZINC61997618
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.