Vitas-M small molecule compound
4-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3,5-dimethylphenyl thiocyanate
Catalog ID
STL295353
SMILES N#CSc1cc(C)c(c(c1)C)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Cl)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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-12-8-17(27-11-22)9-13(2)19(12)23-10-18-14(3)24-25(20(18)26)16-6-4-15(21)5-7-16/h4-10,23H,1-3H3/b18-10+InChIKey
DWBQXUZNEJTYDV-VCHYOVAHSA-NSynonyms
(4(((E)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)35dimethylphenyl)thiocyanate
4(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)35dimethylphenylthiocyanate
CC1=CC(=CC(=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)C)SC#N
InChI=1SC20H17ClN4OSc112817(271122)913(2)19(12)23101814(3)2425(20(18)26)166415(21)5716h41023H13H3b1810+
MFCD28032958
N#CSc1cc(C)c(c(c1)C)NC=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
ZINC000095471013
ZINC95471013
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