Vitas-M small molecule compound
1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168528
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)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 C32H27N7O5 MW 589.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N7O5/c40-26(19-36-30-28(33-35-36)31(41)37(32(30)42)23-14-16-24(17-15-23)39(43)44)38-29(21-10-5-2-6-11-21)25-13-7-12-22(27(25)34-38)18-20-8-3-1-4-9-20/h1-6,8-11,14-18,25,28-30H,7,12-13,19H2/b22-18+InChIKey
FIZYTWPEXXGMMQ-RELWKKBWSA-NSynonyms
494220-08-51(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4nitrophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
494220085
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)(N+)(=O)(O))N=N4)C7=CC=CC=C7
InChI=1SC32H27N7O5c4026(19363028(333536)31(41)37(32(30)42)23141624(171523)39(43)44)3829(21105261121)251371222(27(25)3438)18208314920h168111418252830H7121319H2b2218+
MFCD03073984
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000105262691
ZINC000245238181
Check stock
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Check stock on Vitas-MAvailable files
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