Vitas-M small molecule compound
7-methyl-5-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386149
SMILES O=C(C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)Nc1ccc(cc1)C(C)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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-14(2)16-6-8-17(9-7-16)22-21(24)20-11-12-23(28(4,25)26)18-13-15(3)5-10-19(18)27-20/h5-10,13-14,20H,11-12H2,1-4H3,(H,22,24)InChIKey
RUBISQYAMVLCJC-UHFFFAOYSA-NSynonyms
7methyl5(methylsulfonyl)N(4(propan2yl)phenyl)2345tetrahydro15benzoxazepine2carboxamide
7methyl5methylsulfonylN(4propan2ylphenyl)34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC=C(C=C3)C(C)C
InChI=1SC21H26N2O4Sc114(2)166817(9716)2221(24)20111223(28(425)26)181315(3)51019(18)2720h510131420H1112H214H3(H2224)
MFCD27225263
ZINC000064988466
ZINC000064988468
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Check stock on Vitas-MAvailable files
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