Vitas-M small molecule compound
(4E)-4-({[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-5-methyl-2-(naphthalen-1-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295603
SMILES Clc1ccc(c(c1)Cl)c1nnc(s1)N/C=C/1\C(=NN(C1=O)c1cccc2c1cccc2)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 C23H15Cl2N5OS MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15Cl2N5OS/c1-13-18(12-26-23-28-27-21(32-23)17-10-9-15(24)11-19(17)25)22(31)30(29-13)20-8-4-6-14-5-2-3-7-16(14)20/h2-12H,1H3,(H,26,28)/b18-12+InChIKey
PYOPHHUIBPRCPM-LDADJPATSA-NSynonyms
(4E)4(((5(24dichlorophenyl)134thiadiazol2yl)amino)methylidene)5methyl2(naphthalen1yl)24dihydro3Hpyrazol3one
(4E)4(((5(24dichlorophenyl)134thiadiazol2yl)amino)methylidene)5methyl2naphthalen1ylpyrazol3one
CC1=NN(C(=O)C1=CNC2=NN=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54
Clc1ccc(c(c1)Cl)c1nnc(s1)NC=C1C(=NN(C1=O)c1cccc2c1cccc2)C
InChI=1SC23H15Cl2N5OSc11318(122623282721(3223)1710915(24)1119(17)25)22(31)30(2913)2084614523716(14)20h212H1H3(H2628)b1812+
MFCD28033048
ZINC000101114417
ZINC101114417
ZINC17264990
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