Vitas-M small molecule compound
5-[(E)-{2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene}methyl]-2-methoxyphenyl acetate
Catalog ID
STL291018
SMILES COc1ccc(cc1OC(=O)C)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)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 C24H28N4O6S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O6S/c1-16(29)34-20-14-17(10-11-19(20)33-5)15-25-28(13-12-22(30)26-24(2,3)4)23-18-8-6-7-9-21(18)35(31,32)27-23/h6-11,14-15H,12-13H2,1-5H3,(H,26,30)/b25-15+InChIKey
ZPQMUJXUZJHTMV-MFKUBSTISA-NSynonyms
(5((E)((3(tertbutylamino)3oxopropyl)(11dioxo12benzothiazol3yl)hydrazinylidene)methyl)2methoxyphenyl)acetate
5((E)(2(3(tertbutylamino)3oxopropyl)2(11dioxido12benzothiazol3yl)hydrazinylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=CC(=C1)C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)C3=CC=CC=C32)OC
COc1ccc(cc1OC(=O)C)C=NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C
InChI=1SC24H28N4O6Sc116(29)34201417(101119(20)335)152528(131222(30)2624(23)4)2318867921(18)35(3132)2723h6111415H1213H215H3(H2630)b2515+
MFCD03215018
ZINC000022822663
ZINC33696425
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