Vitas-M small molecule compound
7-chloro-N-(2,6-diethylphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389807
SMILES CCc1cccc(c1NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)CC
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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 C21H25ClN2O4S MW 436.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S/c1-4-14-7-6-8-15(5-2)20(14)23-21(25)19-11-12-24(29(3,26)27)17-13-16(22)9-10-18(17)28-19/h6-10,13,19H,4-5,11-12H2,1-3H3,(H,23,25)InChIKey
CMIHTEPLMYNIMC-UHFFFAOYSA-NSynonyms
7chloroN(26diethylphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(26diethylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CCC1=C(C(=CC=C1)CC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC21H25ClN2O4Sc141476815(52)20(14)2321(25)19111224(29(326)27)171316(22)91018(17)2819h6101319H451112H213H3(H2325)
MFCD13987342
ZINC000038856278
ZINC000038856280
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