Vitas-M small molecule compound
(3aS,6aS)-5-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Catalog ID
STK542695
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1)[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 C24H17N5O7 MW 487.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N5O7/c1-36-19-12-11-17(29(34)35)13-18(19)26-23(30)20-21(14-7-9-16(10-8-14)28(32)33)25-27(22(20)24(26)31)15-5-3-2-4-6-15/h2-13,20,22H,1H3/t20-,22+/m1/s1InChIKey
LBLFAHLMBWKSMM-IRLDBZIGSA-NSynonyms
956989-01-8(3aS6aS)5(2methoxy5nitrophenyl)3(4nitrophenyl)1phenyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
(3aS6aS)5(2methoxy5nitrophenyl)3(4nitrophenyl)1phenyl3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3aS6aS)5(2methoxy5nitrophenyl)3(4nitrophenyl)1phenyl3a6adihydropyrrolo(34c)pyrazole46dione
956989018
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)N(N=C3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)N(N=C2c1ccc(cc1)(N+)(=O)(O))c1ccccc1)(N+)(=O)(O)
InChI=1SC24H17N5O7c13619121117(29(34)35)1318(19)2623(30)2021(147916(10814)28(32)33)2527(22(20)24(26)31)155324615h2132022H1H3t2022+m1s1
MFCD18242018
ZINC000100835836
ZINC100835836
Check stock
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Check stock on Vitas-MAvailable files
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