Vitas-M small molecule compound

(2'R,3'R)-2'-(4-nitrophenyl)-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione

Catalog ID
STK547786
SMILES O=C([C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3)c1ccccc1

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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 C32H21N3O5 MW 527.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21N3O5/c36-28(20-8-2-1-3-9-20)27-26(19-14-16-22(17-15-19)35(39)40)32(30(37)24-12-6-7-13-25(24)31(32)38)29-23-11-5-4-10-21(23)18-33-34(27)29/h1-18,26-27,29H/t26-,27+,29?/m0/s1
InChIKey
PYHUVKJWMBMZIF-ZDCXKQOISA-N
Synonyms
1177508-52-9
(2R3R)2(4nitrophenyl)3(phenylcarbonyl)23dihydro10bHspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3benzoyl2(4nitrophenyl)310bdihydro2Hspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3benzoyl2(4nitrophenyl)spiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)13dione
1177508529
C1=CC=C(C=C1)C(=O)C2C(C3(C4N2N=CC5=CC=CC=C45)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC32H21N3O5c3628(208213920)2726(19141622(171519)35(39)40)32(30(37)2412671325(24)31(32)38)292311541021(23)183334(27)29h118262729Ht2627+29?m0s1
O=C((C@@H)1N2N=Cc3c(C2(C@@)2((C@H)1c1ccc(cc1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3)c1ccccc1
O=C((C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccc(cc1)(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)cccc3)c1ccccc1
ZINC000100917405
ZINC000100917407

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Available files

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