Vitas-M small molecule compound
(4E)-4-{3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK132884
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Br
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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 C25H17BrF3N3O5 MW 576.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrF3N3O5/c1-14-18(24(33)31(30-14)17-6-4-3-5-7-17)10-15-11-19(26)23(22(12-15)36-2)37-21-9-8-16(25(27,28)29)13-20(21)32(34)35/h3-13H,1-2H3/b18-10+InChIKey
AIDQXJNSPXGZQP-VCHYOVAHSA-NSynonyms
(4E)4((3BROMO5METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3BROMO5METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))OC)C4=CC=CC=C4
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)Br
InChI=1SC25H17BrF3N3O5c11418(24(33)31(3014)176435717)10151119(26)23(22(1215)362)37219816(25(2728)29)1320(21)32(34)35h313H12H3b1810+
MFCD06662685
ZINC000101582920
ZINC101582920
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