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3-[(3R,3'S,3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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
STK596480
SMILES N#Cc1c(sc2c1CCCC2)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 C25H22N4O5S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S/c26-11-13-12-5-1-4-8-17(12)35-23(13)29-21(32)19-16(9-10-18(30)31)28-25(20(19)22(29)33)14-6-2-3-7-15(14)27-24(25)34/h2-3,6-7,16,19-20,28H,1,4-5,8-10H2,(H,27,34)(H,30,31)/t16-,19+,20-,25-/m0/s1
InChIKey
HQXWOTGBDHTKKO-HOKASXAUSA-N
Synonyms
958937-97-8
3((1R3S3aS6aR)5(3cyano4567tetrahydrobenzo(b)thiophen2yl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((1S3R3aR6aS)5(3cyano4567tetrahydro1benzothiophen2yl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3R3S3aS6aR)5(3cyano4567tetrahydro1benzothiophen2yl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
958937978
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(NC5(C4C3=O)C6=CC=CC=C6NC5=O)CCC(=O)O)C#N
InChI=1SC25H22N4O5Sc26111312514817(12)3523(13)2921(32)1916(91018(30)31)2825(20(19)22(29)33)14623715(14)2724(25)34h236716192028H145810H2(H2734)(H3031)t1619+2025m0s1
MFCD18246048
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)(C@)1(N(C@H)2CCC(=O)O)C(=O)Nc2c1cccc2
ZINC000006498679
ZINC6498679

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Available files

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