Vitas-M small molecule compound
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(9H-xanthen-9-yl)ethanone
Catalog ID
STK271904
SMILES Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)CC1c2ccccc2Oc2c1cccc2)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 C30H29N5O4 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O4/c1-20-17-21(2)34(31-20)27-18-22(11-12-26(27)35(37)38)32-13-15-33(16-14-32)30(36)19-25-23-7-3-5-9-28(23)39-29-10-6-4-8-24(25)29/h3-12,17-18,25H,13-16,19H2,1-2H3InChIKey
IGOUPQXLMPXRGE-UHFFFAOYSA-NSynonyms
1(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)2(9Hxanthen9yl)ethanone
1(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)2(9HXANTHEN9YL)ETHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46)(N+)(=O)(O))C
Cc1cc(n(n1)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)CC1c2ccccc2Oc2c1cccc2)C
InChI=1SC30H29N5O4c1201721(2)34(3120)271822(111226(27)35(37)38)32131533(161432)30(36)192523735928(23)39291064824(25)29h312171825H131619H212H3
MFCD05860207
ZINC000009614312
ZINC09614312
ZINC9614312
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