Vitas-M small molecule compound

(2'R,3'R)-3'-acetyl-2,2-dimethyl-2'-(4-nitrophenyl)-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione

Catalog ID
STK555273
SMILES CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC(OC2=O)(C)C)cccc3

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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 C24H21N3O7 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7/c1-13(28)19-18(14-8-10-16(11-9-14)27(31)32)24(21(29)33-23(2,3)34-22(24)30)20-17-7-5-4-6-15(17)12-25-26(19)20/h4-12,18-20H,1-3H3/t18-,19-,20?/m0/s1
InChIKey
GIDAGIUFPCNPEY-NFBCFJMWSA-N
Synonyms
1214628-31-5
(2R3R)3acetyl22dimethyl2(4nitrophenyl)23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazine)46dione
(2R3R)3acetyl22dimethyl2(4nitrophenyl)310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazine)46dione
(2R3R)3acetyl22dimethyl2(4nitrophenyl)spiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)46dione
1214628315
CC(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccc(cc1)(N+)(=O)(O))C(=O)OC(OC2=O)(C)C)cccc3
CC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(OC2=O)(C)C)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC24H21N3O7c113(28)1918(1481016(11914)27(31)32)24(21(29)3323(23)3422(24)30)2017754615(17)122526(19)20h4121820H13H3t181920?m0s1
ZINC000001313297
ZINC000013510612

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Available files

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