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N-{4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-nitro-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide

Catalog ID
STK592052
SMILES CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

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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 C30H24N6O6 MW 564.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N6O6/c1-15(37)32-17-6-8-18(9-7-17)35-27(38)25-24(12-16-14-31-22-5-3-2-4-20(16)22)34-30(26(25)28(35)39)21-13-19(36(41)42)10-11-23(21)33-29(30)40/h2-11,13-14,24-26,31,34H,12H2,1H3,(H,32,37)(H,33,40)/t24?,25-,26+,30?/m1/s1
InChIKey
ILDAYPHPBURGQG-BBYYJEGRSA-N
Synonyms
1014084-49-1
1014084491
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)(N+)(=O)(O))NC4=O)CC6=CNC7=CC=CC=C76
CC(=O)Nc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(cc2)(N+)(=O)(O)
InChI=1SC30H24N6O6c115(37)32176818(9717)3527(38)2524(1216143122532420(16)22)3430(26(25)28(35)39)211319(36(41)42)101123(21)3329(30)40h211131424263134H12H21H3(H3237)(H3340)t24?2526+30?m1s1
MFCD07642020
N(4((3aR6aS)1(1Hindol3ylmethyl)5nitro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetamide
N(4((3aS6aR)3((1Hindol3yl)methyl)5nitro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenyl)acetamide
N(4((3aS6aR)3(1Hindol3ylmethyl)5nitro246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenyl)acetamide
ZINC000101392620
ZINC000101392631

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Available files

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