Vitas-M small molecule compound
3-[5'-(4-chlorophenyl)-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
STL051539
SMILES OC(=O)CCC1NC2(C3C1C(=O)N(C3=O)c1ccc(cc1)Cl)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 C22H18ClN3O5 MW 439.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O5/c23-11-5-7-12(8-6-11)26-19(29)17-15(9-10-16(27)28)25-22(18(17)20(26)30)13-3-1-2-4-14(13)24-21(22)31/h1-8,15,17-18,25H,9-10H2,(H,24,31)(H,27,28)InChIKey
LGEIMNNDBQRHJD-UHFFFAOYSA-NSynonyms
3((1R3S3aS6aR)5(4chlorophenyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3(5(4chlorophenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3(5(4CHLOROPHENYL)246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)1YL)PROPANOICACID
C1=CC=C2C(=C1)C3(C4C(C(N3)CCC(=O)O)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C(=O)N2
InChI=1SC22H18ClN3O5c23115712(8611)2619(29)1715(91016(27)28)2522(18(17)20(26)30)13312414(13)2421(22)31h1815171825H910H2(H2431)(H2728)
MFCD18192681
OC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1
ZINC000016033797
ZINC000245246426
Check stock
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Check stock on Vitas-MAvailable files
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