Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK207126
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NC1CC(C)(C)NC(C1)(C)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 C24H31N5O3S MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O3S/c1-14(25-15-12-23(2,3)28-24(4,5)13-15)20-17(11-19(30)32-6)27-29(21(20)31)22-26-16-9-7-8-10-18(16)33-22/h7-10,15,25,28H,11-13H2,1-6H3/b20-14-InChIKey
YEDRRLIUZAOMIK-ZHZULCJRSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4CC(NC(C4)(C)C)(C)C
COC(=O)CC1=NN(C(=O)C1=C(NC1CC(C)(C)NC(C1)(C)C)C)c1nc2c(s1)cccc2
InChI=1SC24H31N5O3Sc114(25151223(23)2824(45)1315)2017(1119(30)326)2729(21(20)31)2226169781018(16)3322h710152528H1113H216H3b2014
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((2266tetramethylpiperidin4yl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)1(13benzothiazol2yl)5oxo4(1((2266tetramethylpiperidin4yl)amino)ethylidene)pyrazol3yl)acetate
MFCD06191792
ZINC000019899358
ZINC19899358
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