Vitas-M small molecule compound
{1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK310469
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccc(cc1Cl)[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 C16H14ClF2N5O5 MW 429.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClF2N5O5/c1-9-7-16(26,15(18)19)23(20-9)14(25)12-4-5-22(21-12)8-29-13-3-2-10(24(27)28)6-11(13)17/h2-6,15,26H,7-8H2,1H3InChIKey
IMDSPQHEQYFSPW-UHFFFAOYSA-NSynonyms
1005569-26-5(1((2chloro4nitrophenoxy)methyl)1Hpyrazol3yl)(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)methanone
(1((2chloro4nitrophenoxy)methyl)pyrazol3yl)(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)methanone
1005569265
CC1=NN(C(C1)(C(F)F)O)C(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl
CC1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)COc1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC16H14ClF2N5O5c19716(2615(18)19)23(209)14(25)124522(2112)829133210(24(27)28)611(13)17h261526H78H21H3
MFCD04053971
ZINC000013960110
ZINC000013960111
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