Vitas-M small molecule compound

ethyl 4-({[3-methyl-4-(2-methylpropyl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]carbonyl}amino)benzoate

Catalog ID
STL421124
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(N2CC(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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-5-30-22(27)16-6-9-18(10-7-16)23-21(26)17-8-11-19-20(12-17)31(28,29)24-15(4)25(19)13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,26)
InChIKey
RTGNZLZAZTZHQF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(C(=NS3(=O)=O)C)CC(C)C
ethyl4(((3methyl4(2methylpropyl)11dioxido4H124benzothiadiazin7yl)carbonyl)amino)benzoate
ethyl4((3methyl4(2methylpropyl)11dioxo1$l^(6)24benzothiadiazine7carbonyl)amino)benzoate
InChI=1SC22H25N3O5Sc153022(27)166918(10716)2321(26)178111920(1217)31(2829)2415(4)25(19)1314(2)3h61214H513H214H3(H2326)
MFCD15079614
ZINC000015867719
ZINC15867719

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Available files

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