Vitas-M small molecule compound
4-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methylphenyl thiocyanate
Catalog ID
STL294952
SMILES N#CSc1ccc(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 C19H15ClN4OS MW 382.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN4OS/c1-12-9-16(26-11-21)7-8-18(12)22-10-17-13(2)23-24(19(17)25)15-5-3-14(20)4-6-15/h3-10,22H,1-2H3/b17-10+InChIKey
QUJSPYQZPOKSAM-LICLKQGHSA-NSynonyms
(4(((E)(1(4CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)3METHYLPHENYL)THIOCYANATE
4(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methylphenylthiocyanate
CC1=C(C=CC(=C1)SC#N)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C
InChI=1SC19H15ClN4OSc112916(261121)7818(12)22101713(2)2324(19(17)25)155314(20)4615h31022H12H3b1710+
MFCD28032843
N#CSc1ccc(c(c1)C)NC=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
ZINC000004309924
ZINC4309924
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