Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-cyclopentyl-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
STL529823
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)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 C21H23N3O5 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5/c25-15(26)10-9-14-16-17(19(28)24(18(16)27)11-5-1-2-6-11)21(23-14)12-7-3-4-8-13(12)22-20(21)29/h3-4,7-8,11,14,16-17,23H,1-2,5-6,9-10H2,(H,22,29)(H,25,26)/t14?,16-,17+,21?/m1/s1
InChIKey
DDGWAHPPTDOPLD-ARMXKFQOSA-N
Synonyms
956953-74-5
16402338
3((3~(a)~(R)6~(a)~(S))5cyclopentyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5cyclopentyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5cyclopentyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956953745
InChI=1SC21H23N3O5c2515(26)109141617(19(28)24(18(16)27)11512611)21(2314)12734813(12)2220(21)29h34781114161723H1256910H2(H2229)(H2526)t14?1617+21?m1s1
MFCD06493428
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cccc1
ZINC000002129783
ZINC000020610799

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Available files

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