Vitas-M small molecule compound
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389754
SMILES O=C(C1CCN(c2c(O1)cccc2)S(=O)(=O)C)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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-15-20(22(28)26(24(15)2)16-9-5-4-6-10-16)23-21(27)19-13-14-25(32(3,29)30)17-11-7-8-12-18(17)31-19/h4-12,19H,13-14H2,1-3H3,(H,23,27)InChIKey
WKVLMMJXQIFWPI-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C
InChI=1SC22H24N4O5Sc11520(22(28)26(24(15)2)1695461016)2321(27)19131425(32(329)30)1711781218(17)3119h41219H1314H213H3(H2327)
MFCD13985562
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(15dimethyl3oxo2phenylpyrazol4yl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000038850205
ZINC000038850206
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