Vitas-M small molecule compound

3-[(3R,3'S,3a'S,6a'R)-5'-(3,5-dimethylphenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid

Catalog ID
STL530149
SMILES OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(C)cc(c1)C)C(=O)Nc1c2cccc1

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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 C24H23N3O5 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5/c1-12-9-13(2)11-14(10-12)27-21(30)19-17(7-8-18(28)29)26-24(20(19)22(27)31)15-5-3-4-6-16(15)25-23(24)32/h3-6,9-11,17,19-20,26H,7-8H2,1-2H3,(H,25,32)(H,28,29)/t17-,19+,20-,24-/m0/s1
InChIKey
YWOAWPNVTVYAFW-GHCZAOPSSA-N
Synonyms
956936-17-7
16402799
3((1~(S)3~(R)3~(a)~(R)6~(a)~(S))5(35dimethylphenyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1R3S3aS6aR)5(35dimethylphenyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3R3S3aS6aR)5(35dimethylphenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956936177
InChI=1SC24H23N3O5c112913(2)1114(1012)2721(30)1917(7818(28)29)2624(20(19)22(27)31)15534616(15)2523(24)32h3691117192026H78H212H3(H2532)(H2829)t1719+2024m0s1
OC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1cc(C)cc(c1)C)C(=O)Nc1c2cccc1
ZINC000008789119
ZINC8789119

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Available files

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