Vitas-M small molecule compound

3-[(3R,3'S,3a'S,6a'R)-5'-(4-butylphenyl)-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
STL533581
SMILES CCCCc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(=O)O)C(=O)Nc2c1cccc2

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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-2-3-6-15-9-11-16(12-10-15)29-23(32)21-19(13-14-20(30)31)28-26(22(21)24(29)33)17-7-4-5-8-18(17)27-25(26)34/h4-5,7-12,19,21-22,28H,2-3,6,13-14H2,1H3,(H,27,34)(H,30,31)/t19-,21+,22-,26-/m0/s1
InChIKey
RAPONIKUAJLLNV-IYCJUYGXSA-N
Synonyms
956936-22-4
16402820
3((1~(S)3~(R)3~(a)~(R)6~(a)~(S))5(4butylphenyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1R3S3aS6aR)5(4butylphenyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3R3S3aS6aR)5(4butylphenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956936224
CCCCc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@)1(N(C@H)2CCC(=O)O)C(=O)Nc2c1cccc2
InChI=1SC26H27N3O5c12361591116(121015)2923(32)2119(131420(30)31)2826(22(21)24(29)33)17745818(17)2725(26)34h4571219212228H2361314H21H3(H2734)(H3031)t1921+2226m0s1
ZINC000008789135
ZINC8789135

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Available files

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