Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389738
SMILES COc1ccc(cc1NC(=O)C1CCN(c2c(O1)cccc2)S(=O)(=O)C)Cl
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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 C18H19ClN2O5S MW 410.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O5S/c1-25-15-8-7-12(19)11-13(15)20-18(22)17-9-10-21(27(2,23)24)14-5-3-4-6-16(14)26-17/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)InChIKey
KGGMIAGOIRXGPX-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C
InChI=1SC18H19ClN2O5Sc125158712(19)1113(15)2018(22)1791021(27(223)24)14534616(14)2617h381117H910H212H3(H2022)
MFCD13985067
N(5chloro2methoxyphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(5chloro2methoxyphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000038849426
ZINC000038849427
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