Vitas-M small molecule compound
methyl 3-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]carbonyl}amino)benzoate
Catalog ID
STK631046
SMILES COC(=O)c1cccc(c1)NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1
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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-28-20(25)13-5-4-6-14(11-13)21-19(24)18-16-7-2-3-8-17(16)23(22-18)15-9-10-29(26,27)12-15/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,21,24)InChIKey
GMNUEPNYMKUVPN-UHFFFAOYSA-NSynonyms
942741-91-5942741915
COC(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C3=C2CCCC3)C4CCS(=O)(=O)C4
InChI=1SC20H23N3O5Sc12820(25)1354614(1113)2119(24)1816723817(16)23(2218)1591029(2627)1215h461115H2371012H21H3(H2124)
methyl3(((1(11dioxidotetrahydrothiophen3yl)4567tetrahydro1Hindazol3yl)carbonyl)amino)benzoate
methyl3((1(11dioxothiolan3yl)4567tetrahydroindazole3carbonyl)amino)benzoate
methyl3(1(11dioxidotetrahydrothiophen3yl)4567tetrahydro1Hindazole3carboxamido)benzoate
MFCD09850187
ZINC000013685529
ZINC000013685533
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