Vitas-M small molecule compound

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

Catalog ID
STL389554
SMILES CC(NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)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 C14H19ClN2O4S MW 346.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19ClN2O4S/c1-9(2)16-14(18)13-6-7-17(22(3,19)20)11-8-10(15)4-5-12(11)21-13/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,18)
InChIKey
IGPCJMLJUMJFCM-UHFFFAOYSA-N
Synonyms

7chloro5(methylsulfonyl)N(propan2yl)2345tetrahydro15benzoxazepine2carboxamide
7chloro5methylsulfonylNpropan2yl34dihydro2H15benzoxazepine2carboxamide
CC(C)NC(=O)C1CCN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C
InChI=1SC14H19ClN2O4Sc19(2)1614(18)136717(22(319)20)11810(15)4512(11)2113h458913H67H213H3(H1618)
MFCD13981968
ZINC000038832225
ZINC000038832226

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.