Vitas-M small molecule compound
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Catalog ID
STL401664
SMILES FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccc(cc1Cl)[N+](=O)[O-])F
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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 C16H12ClF4N5O5 MW 465.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClF4N5O5/c17-9-5-8(26(29)30)1-2-12(9)31-7-24-4-3-10(22-24)14(27)25-16(28,15(20)21)6-11(23-25)13(18)19/h1-5,13,15,28H,6-7H2InChIKey
SQRFOMGZPVSCNP-UHFFFAOYSA-NSynonyms
1005617-33-3(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(1((2chloro4nitrophenoxy)methyl)1Hpyrazol3yl)methanone
(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)(1((2chloro4nitrophenoxy)methyl)pyrazol3yl)methanone
1005617333
C1C(=NN(C1(C(F)F)O)C(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl)C(F)F
FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccc(cc1Cl)(N+)(=O)(O))F
InChI=1SC16H12ClF4N5O5c17958(26(29)30)1212(9)317244310(2224)14(27)2516(2815(20)21)611(2325)13(18)19h15131528H67H2
MFCD04053961
ZINC000020613825
ZINC000020613826
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