Vitas-M small molecule compound
(4Z)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK963280
SMILES COc1cc(ccc1N/C=C\1/C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C)[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 C18H13Cl3N4O4 MW 455.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13Cl3N4O4/c1-9-12(8-22-15-4-3-11(25(27)28)7-16(15)29-2)18(26)24(23-9)17-13(20)5-10(19)6-14(17)21/h3-8,22H,1-2H3/b12-8-InChIKey
SQZMKTNBEVCIMQ-WQLSENKSSA-NSynonyms
(4Z)4(((2methoxy4nitrophenyl)amino)methylidene)5methyl2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4Z)4((2METHOXY4NITROANILINO)METHYLIDENE)5METHYL2(246TRICHLOROPHENYL)PYRAZOL3ONE
4((4NITRO2METHOXYANILINO)METHYLENE)5METHYL2(246TRICHLOROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)(N+)(=O)(O))OC)C3=C(C=C(C=C3Cl)Cl)Cl
COc1cc(ccc1NC=C1C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C)(N+)(=O)(O)
InChI=1SC18H13Cl3N4O4c1912(822154311(25(27)28)716(15)292)18(26)24(239)1713(20)510(19)614(17)21h3822H12H3b128
MFCD01919593
ZINC000008431861
ZINC8431861
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