Vitas-M small molecule compound
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL437476
SMILES Clc1ccc(cc1)N1N=C(/C(=C/c2ccc3c(c2)OCO3)/C1=O)C
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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 C18H13ClN2O3 MW 340.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O3/c1-11-15(8-12-2-7-16-17(9-12)24-10-23-16)18(22)21(20-11)14-5-3-13(19)4-6-14/h2-9H,10H2,1H3/b15-8-InChIKey
NGZZHPSKKWCJJE-NVNXTCNLSA-NSynonyms
(4Z)4(13benzodioxol5ylmethylidene)2(4chlorophenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2(4CHLOROPHENYL)5METHYLPYRAZOL3ONE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)1(4CHLOROPHENYL)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1N=C(C(=Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC18H13ClN2O3c11115(812271617(912)24102316)18(22)21(2011)145313(19)4614h29H10H21H3b158
MFCD00746695
ZINC000013603078
ZINC13603078
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