Vitas-M small molecule compound
3-[(3a'S,6a'R)-5-chloro-5'-(2-chlorobenzyl)-7-methyl-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
STK585657
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1C
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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 C24H21Cl2N3O5 MW 502.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21Cl2N3O5/c1-11-8-13(25)9-14-20(11)27-23(34)24(14)19-18(16(28-24)6-7-17(30)31)21(32)29(22(19)33)10-12-4-2-3-5-15(12)26/h2-5,8-9,16,18-19,28H,6-7,10H2,1H3,(H,27,34)(H,30,31)/t16?,18-,19+,24?/m1/s1InChIKey
ASQBAJXZDOUNMK-VETPGCHDSA-NSynonyms
1013886-95-71013886957
3((3aR6aS)5chloro5((2chlorophenyl)methyl)7methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5chloro5(2chlorobenzyl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5chloro5(2chlorobenzyl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
CC1=C2C(=CC(=C1)Cl)C3(C4C(C(N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2
InChI=1SC24H21Cl2N3O5c111813(25)91420(11)2723(34)24(14)1918(16(2824)6717(30)31)21(32)29(22(19)33)1012423515(12)26h258916181928H6710H21H3(H2734)(H3031)t16?1819+24?m1s1
MFCD06596894
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1C
ZINC000002206083
ZINC000002206086
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