Vitas-M small molecule compound
7-chloro-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
STL389755
SMILES O=C(C1CCN(c2c(O1)ccc(c2)Cl)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 C22H23ClN4O5S MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O5S/c1-14-20(22(29)27(25(14)2)16-7-5-4-6-8-16)24-21(28)19-11-12-26(33(3,30)31)17-13-15(23)9-10-18(17)32-19/h4-10,13,19H,11-12H2,1-3H3,(H,24,28)InChIKey
DDVLTPOBEIVWDP-UHFFFAOYSA-NSynonyms
7chloroN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(15dimethyl3oxo2phenylpyrazol4yl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C
InChI=1SC22H23ClN4O5Sc11420(22(29)27(25(14)2)167546816)2421(28)19111226(33(330)31)171315(23)91018(17)3219h4101319H1112H213H3(H2428)
MFCD13985563
ZINC000038850207
ZINC000038850208
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