Vitas-M small molecule compound
7-chloro-N-(2,4-dimethoxyphenyl)-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389668
SMILES COc1cc(OC)ccc1NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)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 C19H21ClN2O6S MW 440.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O6S/c1-26-13-5-6-14(18(11-13)27-2)21-19(23)17-8-9-22(29(3,24)25)15-10-12(20)4-7-16(15)28-17/h4-7,10-11,17H,8-9H2,1-3H3,(H,21,23)InChIKey
BRKQKBLFORARTD-UHFFFAOYSA-NSynonyms
7chloroN(24dimethoxyphenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(24dimethoxyphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
COC1=CC(=C(C=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC
InChI=1SC19H21ClN2O6Sc126135614(18(1113)272)2119(23)178922(29(324)25)151012(20)4716(15)2817h47101117H89H213H3(H2123)
MFCD14280194
ZINC000038834681
ZINC000038834682
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