Vitas-M small molecule compound
[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Catalog ID
STK310450
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccccc1[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 C16H15F2N5O5 MW 395.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F2N5O5/c1-10-8-16(25,15(17)18)22(19-10)14(24)11-6-7-21(20-11)9-28-13-5-3-2-4-12(13)23(26)27/h2-7,15,25H,8-9H2,1H3InChIKey
NSNHVZGVXJFUBJ-UHFFFAOYSA-NSynonyms
1005617-71-9(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)(1((2nitrophenoxy)methyl)1Hpyrazol3yl)methanone
(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)(1((2nitrophenoxy)methyl)pyrazol3yl)methanone
1005617719
CC1=NN(C(C1)(C(F)F)O)C(=O)C2=NN(C=C2)COC3=CC=CC=C3(N+)(=O)(O)
CC1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccccc1(N+)(=O)(O)
InChI=1SC16H15F2N5O5c110816(2515(17)18)22(1910)14(24)116721(2011)92813532412(13)23(26)27h271525H89H21H3
MFCD04135694
ZINC000006263574
ZINC000006263590
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