Vitas-M small molecule compound
(4Z)-4-[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261939
SMILES Clc1ccc(cc1)SCCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-13(22-11-12-29-18-9-3-15(21)4-10-18)19-14(2)23-24(20(19)26)16-5-7-17(8-6-16)25(27)28/h3-10,22H,11-12H2,1-2H3/b19-13-InChIKey
AADASBQLJLRLHF-UYRXBGFRSA-NSynonyms
(4Z)4(1((2((4chlorophenyl)sulfanyl)ethyl)amino)ethylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4Z)4(1(2(4chlorophenyl)sulfanylethylamino)ethylidene)5methyl2(4nitrophenyl)pyrazol3one
CC1=NN(C(=O)C1=C(C)NCCSC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
Clc1ccc(cc1)SCCNC(=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)C
InChI=1SC20H19ClN4O3Sc113(22111229189315(21)41018)1914(2)2324(20(19)26)165717(8616)25(27)28h31022H1112H212H3b1913
MFCD07596635
ZINC000018244324
ZINC18244324
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