Vitas-M small molecule compound

N-(4-chlorobenzyl)-7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL386176
SMILES Clc1ccc(cc1)CNC(=O)C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)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 C19H21ClN2O4S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S/c1-13-3-8-17-16(11-13)22(27(2,24)25)10-9-18(26-17)19(23)21-12-14-4-6-15(20)7-5-14/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)
InChIKey
VNTGEWOIRSAHCJ-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl
InChI=1SC19H21ClN2O4Sc113381716(1113)22(27(224)25)10918(2617)19(23)2112144615(20)7514h381118H91012H212H3(H2123)
MFCD27225289
N((4chlorophenyl)methyl)7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
N(4chlorobenzyl)7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
ZINC000064988544
ZINC000064988545

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Available files

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