Vitas-M small molecule compound
(3aS,6aS)-5-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Catalog ID
STK544240
SMILES O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(cc1)[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 C24H16N4O6 MW 456.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N4O6/c29-23-20-21(14-6-8-16(9-7-14)28(31)32)25-27(15-4-2-1-3-5-15)22(20)24(30)26(23)17-10-11-18-19(12-17)34-13-33-18/h1-12,20,22H,13H2/t20-,22+/m1/s1InChIKey
BLLWKUZDXPENLR-IRLDBZIGSA-NSynonyms
1014082-15-5(3aS6aS)5(13benzodioxol5yl)3(4nitrophenyl)1phenyl3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aS6aS)5(13benzodioxol5yl)3(4nitrophenyl)1phenyl3a6adihydropyrrolo(34c)pyrazole46dione
(3aS6aS)5(benzo(d)(13)dioxol5yl)3(4nitrophenyl)1phenyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
1014082155
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)N(N=C4C5=CC=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6
InChI=1SC24H16N4O6c29232021(146816(9714)28(31)32)2527(154213515)22(20)24(30)26(23)1710111819(1217)34133318h1122022H13H2t2022+m1s1
MFCD18242137
O=C1(C@@H)2C(=NN((C@@H)2C(=O)N1c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000100884651
ZINC100884651
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.