Vitas-M small molecule compound
(4Z)-4-(4-tert-butylbenzylidene)-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK728437
SMILES Clc1ccc(c(c1)N1N=C(/C(=C/c2ccc(cc2)C(C)(C)C)/C1=O)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 C21H20ClN3O3 MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O3/c1-13-17(11-14-5-7-15(8-6-14)21(2,3)4)20(26)24(23-13)19-12-16(22)9-10-18(19)25(27)28/h5-12H,1-4H3/b17-11-InChIKey
VOANQJKFSCUHHF-BOPFTXTBSA-NSynonyms
(4Z)4((4TERTBUTYLPHENYL)METHYLIDENE)2(5CHLORO2NITROPHENYL)5METHYLPYRAZOL3ONE
(4Z)4(4tertbutylbenzylidene)2(5chloro2nitrophenyl)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)N1N=C(C(=Cc2ccc(cc2)C(C)(C)C)C1=O)C)(N+)(=O)(O)
InChI=1SC21H20ClN3O3c11317(11145715(8614)21(23)4)20(26)24(2313)191216(22)91018(19)25(27)28h512H14H3b1711
MFCD03164674
ZINC000012412727
ZINC12412727
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