Vitas-M small molecule compound
(4E)-2-(4-chlorophenyl)-4-{[(6,7-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL294956
SMILES Clc1ccc(cc1)N1N=C(/C(=C\Nc2nc3c(s2)c(C)c(cc3)C)/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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-11-4-9-17-18(12(11)2)27-20(23-17)22-10-16-13(3)24-25(19(16)26)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H,22,23)/b16-10+InChIKey
HGNXJIMITMVVIS-MHWRWJLKSA-NSynonyms
(4E)2(4chlorophenyl)4(((67dimethyl13benzothiazol2yl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(4chlorophenyl)4(((67dimethyl13benzothiazol2yl)amino)methylidene)5methylpyrazol3one
CC1=C(C2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C)C
Clc1ccc(cc1)N1N=C(C(=CNc2nc3c(s2)c(C)c(cc3)C)C1=O)C
InChI=1SC20H17ClN4OSc111491718(12(11)2)2720(2317)22101613(3)2425(19(16)26)157514(21)6815h410H13H3(H2223)b1610+
MFCD28032847
ZINC000101125001
ZINC101125001
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