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N-{4-[(3a'R,6a'S)-4',6',12-trioxo-3'-(propan-2-yl)-2',3',3a',4',6',6a'-hexahydro-5'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide

Catalog ID
STL566016
SMILES CC(=O)Nc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(NC2C(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2

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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 C31H27N5O4 MW 533.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O4/c1-16(2)26-24-25(29(40)35(28(24)39)19-14-12-18(13-15-19)32-17(3)37)31(34-26)21-9-5-7-11-23(21)36-27(38)20-8-4-6-10-22(20)33-30(31)36/h4-16,24-26,34H,1-3H3,(H,32,37)/t24-,25-,26?,31?/m1/s1
InChIKey
WYUAOZWPLYOBBN-XARMTZMGSA-N
Synonyms
1212471-81-2
1212471812
42648812
CC(=O)Nc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1(NC2C(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2
InChI=1SC31H27N5O4c116(2)262425(29(40)35(28(24)39)19141218(131519)3217(3)37)31(3426)219571123(21)3627(38)208461022(20)3330(31)36h416242634H13H3(H3237)t242526?31?m1s1
N(4((3aR6aS)3isopropyl4612trioxo3a466atetrahydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5(3H)yl)phenyl)acetamide
N(4((3aR6aS)4612trioxo3(propan2yl)233a466ahexahydro5H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5yl)phenyl)acetamide
N(4((3aS6aR)4612trioxo1propan2ylspiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)5yl)phenyl)acetamide
ZINC000070712384
ZINC000070712390

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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