Vitas-M small molecule compound
7-chloro-N-(4-methylbenzyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389712
SMILES Cc1ccc(cc1)CNC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)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 C19H21ClN2O4S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S/c1-13-3-5-14(6-4-13)12-21-19(23)18-9-10-22(27(2,24)25)16-11-15(20)7-8-17(16)26-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)InChIKey
YTWMIMPDOSTEGT-UHFFFAOYSA-NSynonyms
7chloroN((4methylphenyl)methyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
7chloroN(4methylbenzyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
CC1=CC=C(C=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC19H21ClN2O4Sc1133514(6413)122119(23)1891022(27(224)25)161115(20)7817(16)2618h381118H91012H212H3(H2123)
MFCD13984638
ZINC000038848801
ZINC000038848802
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