Vitas-M small molecule compound

3-[(3a'S,6a'R)-5-chloro-5'-(2-chlorobenzyl)-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
STK581851
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1

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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 C23H19Cl2N3O5 MW 488.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2N3O5/c24-12-5-6-15-13(9-12)23(22(33)26-15)19-18(16(27-23)7-8-17(29)30)20(31)28(21(19)32)10-11-3-1-2-4-14(11)25/h1-6,9,16,18-19,27H,7-8,10H2,(H,26,33)(H,29,30)/t16?,18-,19+,23?/m1/s1
InChIKey
CWARPMJJSVMONJ-PBHGZRDXSA-N
Synonyms
1014021-22-7
1014021227
3((3aR6aS)5chloro5((2chlorophenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5chloro5(2chlorobenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5chloro5(2chlorobenzyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
C1=CC=C(C(=C1)CN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)Cl)NC4=O)CCC(=O)O)Cl
InChI=1SC23H19Cl2N3O5c2412561513(912)23(22(33)2615)1918(16(2723)7817(29)30)20(31)28(21(19)32)1011312414(11)25h16916181927H7810H2(H2633)(H2930)t16?1819+23?m1s1
MFCD06775196
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1
ZINC000009451483
ZINC000009451498

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Available files

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