Vitas-M small molecule compound
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloro-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK196933
SMILES CC1=NN(C(=O)/C/1=C/c1ccc2c(c1)OCO2)c1cccc(c1C)Cl
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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 C19H15ClN2O3 MW 354.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O3/c1-11-15(20)4-3-5-16(11)22-19(23)14(12(2)21-22)8-13-6-7-17-18(9-13)25-10-24-17/h3-9H,10H2,1-2H3/b14-8+InChIKey
AJJKKHTWPVLDOE-RIYZIHGNSA-NSynonyms
(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(3CHLORO2METHYLPHENYL)5METHYL24DIHYDRO3HPYRAZOL3ONE
(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(3CHLORO2METHYLPHENYL)5METHYLPYRAZOL3ONE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)1(3CHLORO2METHYLPHENYL)3METHYL12DIAZOLIN5ONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=N2)C
CC1=NN(C(=O)C1=Cc1ccc2c(c1)OCO2)c1cccc(c1C)Cl
InChI=1SC19H15ClN2O3c11115(20)43516(11)2219(23)14(12(2)2122)813671718(913)25102417h39H10H212H3b148+
MFCD02915165
ZINC000001180785
ZINC01180785
ZINC1180785
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