Vitas-M small molecule compound

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

Catalog ID
STL386199
SMILES O=C(C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)NC1CCCCCC1

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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 C19H28N2O4S MW 380.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N2O4S/c1-14-9-10-17-16(13-14)21(26(2,23)24)12-11-18(25-17)19(22)20-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKey
PXCHMTLGLRWQRB-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3CCCCCC3
InChI=1SC19H28N2O4Sc1149101716(1314)21(26(223)24)121118(2517)19(22)201575346815h910131518H381112H212H3(H2022)
MFCD27225312
Ncycloheptyl7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
Ncycloheptyl7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000064988609
ZINC000064988612

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Available files

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