Vitas-M small molecule compound
3-(azepan-1-ylcarbonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methoxybenzenesulfonamide
Catalog ID
STK257347
SMILES COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)Nc1c(C)n(n(c1=O)c1ccccc1)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 C25H30N4O5S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O5S/c1-18-23(25(31)29(27(18)2)19-11-7-6-8-12-19)26-35(32,33)20-13-14-22(34-3)21(17-20)24(30)28-15-9-4-5-10-16-28/h6-8,11-14,17,26H,4-5,9-10,15-16H2,1-3H3InChIKey
GOPKCNUKLPWBNO-UHFFFAOYSA-NSynonyms
3(azepan1ylcarbonyl)N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4methoxybenzenesulfonamide
3(azepane1carbonyl)N(15dimethyl3oxo2phenylpyrazol4yl)4methoxybenzenesulfonamide
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4
InChI=1SC25H30N4O5Sc11823(25(31)29(27(18)2)19117681219)2635(3233)20131422(343)21(1720)24(30)2815945101628h6811141726H459101516H213H3
MFCD08684342
ZINC000009356162
ZINC09356162
ZINC9356162
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