Vitas-M small molecule compound
methyl 3-({[7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL389891
SMILES COC(=O)c1cccc(c1)NC(=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 C19H19ClN2O6S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O6S/c1-27-19(24)12-4-3-5-14(10-12)21-18(23)17-8-9-22(29(2,25)26)15-11-13(20)6-7-16(15)28-17/h3-7,10-11,17H,8-9H2,1-2H3,(H,21,23)InChIKey
WXXHLNVTCSEQQW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC19H19ClN2O6Sc12719(24)1243514(1012)2118(23)178922(29(225)26)151113(20)6716(15)2817h37101117H89H212H3(H2123)
methyl3(((7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)benzoate
methyl3((7chloro5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)benzoate
MFCD13990487
ZINC000030946582
ZINC000030946585
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