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Vitas-M small molecule compound

3-[(3R,3'S,3a'S,6a'R)-5'-cyclohexyl-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
STK571578
SMILES OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)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 C22H25N3O5 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5/c26-16(27)11-10-15-17-18(20(29)25(19(17)28)12-6-2-1-3-7-12)22(24-15)13-8-4-5-9-14(13)23-21(22)30/h4-5,8-9,12,15,17-18,24H,1-3,6-7,10-11H2,(H,23,30)(H,26,27)/t15-,17+,18-,22-/m0/s1
InChIKey
HSCDBCVWJXBKOI-PBWVOLNLSA-N
Synonyms
1212324-76-9
1212324769
3((1R3S3aS6aR)5cyclohexyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((1S3R3AR6AS)5CYCLOHEXYL246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM331HINDOLE)1YL)PROPANOATE
3((1S3R3AR6AS)5CYCLOHEXYL246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)1YL)PROPANOICACID
3((3R3S3aS6aR)5cyclohexyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
C1CCC(CC1)N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)O
InChI=1SC22H25N3O5c2616(27)1110151718(20(29)25(19(17)28)126213712)22(2415)13845914(13)2321(22)30h45891215171824H13671011H2(H2330)(H2627)t1517+1822m0s1
MFCD18245415
OC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cccc1
ZINC000005399841
ZINC05399841
ZINC5399841

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Available files

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