Vitas-M small molecule compound

(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK556970
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(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 C20H20N4O5 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5/c1-20(2,3)17(25)16-15-14(13-5-4-10-21-23(13)16)18(26)22(19(15)27)11-6-8-12(9-7-11)24(28)29/h4-10,13-16H,1-3H3/t13-,14-,15-,16+/m0/s1
InChIKey
ZSLLUSXLNCPFEP-YHUYYLMFSA-N
Synonyms
1214627-63-0
(3aS4R9aS9bR)4(22dimethylpropanoyl)2(4nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(4nitrophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1214627630
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H20N4O5c120(23)17(25)161514(1354102123(13)16)18(26)22(19(15)27)116812(9711)24(28)29h4101316H13H3t13141516+m0s1
MFCD18242971
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1(C@@H)1C=CC=NN1(C@H)2C(=O)C(C)(C)C
ZINC000018128964
ZINC18128964

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Available files

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