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tert-butyl (2'R,3'R)-2'-(3-nitrophenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate

Catalog ID
STK552356
SMILES O=C([C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3)OC(C)(C)C

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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 C30H25N3O6 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6/c1-29(2,3)39-28(36)24-23(17-10-8-11-19(15-17)33(37)38)30(26(34)21-13-6-7-14-22(21)27(30)35)25-20-12-5-4-9-18(20)16-31-32(24)25/h4-16,23-25H,1-3H3/t23-,24+,25?/m0/s1
InChIKey
IKVJYZCLCGIDKT-ZXABPTRBSA-N
Synonyms
1214624-65-3
(2R3R)tertbutyl2(3nitrophenyl)13dioxo13310btetrahydro2Hspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
1214624653
CC(C)(C)OC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC30H25N3O6c129(23)3928(36)2423(171081119(1517)33(37)38)30(26(34)2113671422(21)27(30)35)25201254918(20)163132(24)25h4162325H13H3t2324+25?m0s1
O=C((C@@H)1N2N=Cc3c(C2(C@@)2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3)OC(C)(C)C
O=C((C@@H)1N2N=Cc3c(C2C2((C@H)1c1cccc(c1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3)OC(C)(C)C
tertbutyl(2R3R)2(3nitrophenyl)13dioxo1233tetrahydro10bHspiro(indene21pyrrolo(21a)phthalazine)3carboxylate
tertbutyl(2R3R)2(3nitrophenyl)13dioxospiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)3carboxylate
ZINC000009087547
ZINC000100978234

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Available files

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