Vitas-M small molecule compound

7-chloro-N-(2,5-dimethoxyphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL389674
SMILES COc1ccc(cc1NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)OC

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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 C19H21ClN2O6S MW 440.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O6S/c1-26-13-5-7-16(27-2)14(11-13)21-19(23)18-8-9-22(29(3,24)25)15-10-12(20)4-6-17(15)28-18/h4-7,10-11,18H,8-9H2,1-3H3,(H,21,23)
InChIKey
XRFJUBWSQDQXLE-UHFFFAOYSA-N
Synonyms

7chloroN(25dimethoxyphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(25dimethoxyphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC19H21ClN2O6Sc126135716(272)14(1113)2119(23)188922(29(324)25)151012(20)4617(15)2818h47101118H89H213H3(H2123)
MFCD13983623
ZINC000038834807
ZINC000038834808

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Available files

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