Vitas-M small molecule compound
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
Catalog ID
STK205984
SMILES Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCC2)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 C25H29N5O4S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O4S/c1-18-15-19(2)29(26-18)25-17-22(8-10-24(25)30(31)32)27-11-13-28(14-12-27)35(33,34)23-9-7-20-5-3-4-6-21(20)16-23/h7-10,15-17H,3-6,11-14H2,1-2H3InChIKey
MYXVEDCHTZQWDK-UHFFFAOYSA-NSynonyms
1(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)4(5678tetrahydronaphthalen2ylsulfonyl)piperazine
1(3(35dimethylpyrazol1yl)4nitrophenyl)4(5678tetrahydronaphthalen2ylsulfonyl)piperazine
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCCC5)C=C4)(N+)(=O)(O))C
InChI=1SC25H29N5O4Sc1181519(2)29(2618)251722(81024(25)30(31)32)27111328(141227)35(3334)239720534621(20)1623h7101517H361114H212H3
MFCD06167730
ZINC000009971786
ZINC09971786
ZINC9971786
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