Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL447120
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NC1CC(C)(C)NC(C1)(C)C)c1nc2c(s1)cccc2
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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 C27H30ClN5OS2 MW 540.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN5OS2/c1-26(2)13-18(14-27(3,4)32-26)29-15-20-22(16-35-19-11-9-17(28)10-12-19)31-33(24(20)34)25-30-21-7-5-6-8-23(21)36-25/h5-12,15,18,29,32H,13-14,16H2,1-4H3/b20-15+InChIKey
WSPLQNLBKZPUCV-HMMYKYKNSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((2266tetramethylpiperidin4yl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(((2266tetramethylpiperidin4yl)amino)methylidene)pyrazol3one
CC1(CC(CC(N1)(C)C)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl)C
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNC1CC(C)(C)NC(C1)(C)C)c1nc2c(s1)cccc2
InChI=1SC27H30ClN5OS2c126(2)1318(1427(34)3226)29152022(16351911917(28)101219)3133(24(20)34)253021756823(21)3625h51215182932H131416H214H3b2015+
MFCD06240682
ZINC000101385965
ZINC101385965
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