Vitas-M small molecule compound
5-(methylsulfonyl)-N-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389840
SMILES O=C(C1CCN(c2c(O1)cccc2)S(=O)(=O)C)Nc1ccc(cc1)C(F)(F)F
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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 C18H17F3N2O4S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O4S/c1-28(25,26)23-11-10-16(27-15-5-3-2-4-14(15)23)17(24)22-13-8-6-12(7-9-13)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,24)InChIKey
CMVWRLBVDVRQMK-UHFFFAOYSA-NSynonyms
5(methylsulfonyl)N(4(trifluoromethyl)phenyl)2345tetrahydro15benzoxazepine2carboxamide
5methylsulfonylN(4(trifluoromethyl)phenyl)34dihydro2H15benzoxazepine2carboxamide
CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI=1SC18H17F3N2O4Sc128(2526)23111016(2715532414(15)23)17(24)22138612(7913)18(1920)21h2916H1011H21H3(H2224)
MFCD13988404
ZINC000038860523
ZINC000038860527
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