Vitas-M small molecule compound

3-[(3a'S,6a'R)-7-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
STK582756
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1Cl

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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/c24-13-6-2-1-4-11(13)10-28-20(31)17-15(8-9-16(29)30)27-23(18(17)21(28)32)12-5-3-7-14(25)19(12)26-22(23)33/h1-7,15,17-18,27H,8-10H2,(H,26,33)(H,29,30)/t15?,17-,18+,23?/m1/s1
InChIKey
JMTBODRVADDHBD-IBBBCHJRSA-N
Synonyms
1014001-33-2
1014001332
3((3aR6aS)7chloro5((2chlorophenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)7chloro5(2chlorobenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5(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=1SC23H19Cl2N3O5c2413621411(13)102820(31)1715(8916(29)30)2723(18(17)21(28)32)1253714(25)19(12)2622(23)33h1715171827H810H2(H2633)(H2930)t15?1718+23?m1s1
MFCD06601982
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1Cl
ZINC000016010349
ZINC000016010352

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Available files

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