Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-benzyl-6-chloro-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
STK581716
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
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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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c1-12-15(25)8-7-14-20(12)26-23(33)24(14)19-18(16(27-24)9-10-17(29)30)21(31)28(22(19)32)11-13-5-3-2-4-6-13/h2-8,16,18-19,27H,9-11H2,1H3,(H,26,33)(H,29,30)/t16?,18-,19+,24?/m1/s1InChIKey
NCQONBCWJWMYKO-VETPGCHDSA-NSynonyms
1013982-17-61013982176
3((3aR6aS)5benzyl6chloro7methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5benzyl6chloro7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5benzyl6chloro7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=CC=C5)Cl
InChI=1SC24H22ClN3O5c11215(25)871420(12)2623(33)24(14)1918(16(2724)91017(29)30)21(31)28(22(19)32)11135324613h2816181927H911H21H3(H2633)(H2930)t16?1819+24?m1s1
MFCD06598016
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
ZINC000002212885
ZINC000002444430
Check stock
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Check stock on Vitas-MAvailable files
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